Table 1. I-SAD/I-SIRAS data collection statistics.

Entries in parentheses represent values for the highest-resolution bin. All statistics and data quality indicators are calculated, treating Friedel’s pairs as separate reflections. Linear merging R value ${\mathit{R}}_{\mathrm{merge}}=\frac{{\displaystyle {\sum }_{\mathit{h}}}{\displaystyle {\sum }_{\mathit{i}=1}^{\mathit{N}}}|{\mathit{I}}_{(\mathit{h})\mathit{i}}-\langle {\mathit{I}}_{(\mathit{h})}\rangle |}{{\displaystyle {\sum }_{\mathit{h}}}{\displaystyle {\sum }_{\mathit{i}=1}^{\mathit{N}}}{\mathit{I}}_{(\mathit{h})\mathit{i}}}$; redundancy-independent merging R value ${\mathit{R}}_{\mathrm{meas}}=\frac{{\sum }_{\mathit{h}}\sqrt{\frac{\mathit{N}}{\mathit{N}-1}}{\sum }_{\mathit{i}=1}^{\mathit{N}}|{\mathit{I}}_{(\mathit{h})\mathit{i}}-\langle {\mathit{I}}_{(\mathit{h})}\rangle |}{{\sum }_{\mathit{h}}{\displaystyle {\sum }_{\mathit{i}=1}^{\mathit{N}}}{\mathit{I}}_{(\mathit{h})\mathit{i}}}$; CC_1/2—correlation coefficient between intensities from random half–data sets; $\text{SigAno}=\langle \frac{|{\mathit{F}}_{+}-{\mathit{F}}_{-}|}{\mathrm{\sigma }({\mathit{F}}_{+}-{\mathit{F}}_{-})}\rangle$.

Protein/ space group	Crystal/ data set	Unit cell dimensions (Å, o)						Resolution range (Å)	Multiplicity	Completeness (%)	Rmerge (%)	Rmeas (%)	<I/σ(I)>	CC1/2 (%)	SigAno	CCanom (%)	SigAnoinner	CCanom_inner (%)
		a	b	c	α	β	γ
NarQ F222	Native	57.58	73.87	235.56	90	90	90	60–2.0 (2.1–2.0)	3.61 (3.50)	99.8 (99.7)	8.8 (79.7)	10.4 (94.2)	10.58 (1.58)	99.9 (62.3)	0.76 (0.73)	−3 (−4)	0.68	−4
	1	57.27	73.64	236.15	90	90	90	60−2.9 (3.1−2.9)	6.69 (5.99)	99.7 (99.1)	15.8 (77.1)	17.2 (84.6)	10.23 (2.45)	99.8 (87.5)	1.24 (0.88)	47 (26)	4.12	92
	2	57.40	73.79	237.02	90	90	90	60−3.3 (3.5−3.3)	6.73 (6.78)	99.7 (99.8)	20.8 (75.9)	22.6 (82.2)	7.33 (2.36)	99.6 (86.1)	1.15 (0.76)	41 (8)	3.17	90
	3	57.22	73.59	236.42	90	90	90	60−3.1 (3.3−3.1)	6.74 (6.53)	99.7 (99.7)	14.2 (62.0)	15.4 (67.5)	9.87 (3.20)	99.8 (88.8)	1.43 (1.08)	57 (32)	4.03	93
	4	56.92	73.20	236.25	90	90	90	60−2.9 (3.1−2.9)	6.69 (6.69)	99.7 (99.8)	11.3 (50.3)	12.3 (54.6)	12.37 (3.30)	99.8 (93.3)	1.57 (0.78)	64 (5)	5.82	96
	5	57.21	73.52	236.54	90	90	90	60−2.7 (2.9−2.7)	6.69 (6.59)	99.8 (99.8)	11.4 (73.3)	12.4 (79.6)	11.93 (2.47)	99.9 (85.3)	1.51 (0.82)	61 (16)	6.03	97
	6	57.12	73.34	236.74	90	90	90	60−2.9 (3.1−2.9)	6.72 (6.52)	99.4 (99.5)	11.3 (67.4)	12.3 (73.2)	12.20 (2.67)	99.9 (87.1)	1.53 (0.80)	60 (1)	5.85	96
	7	56.99	73.12	236.07	90	90	90	60−2.9 (3.1−2.9)	6.73 (6.68)	98.9 (98.4)	11.1 (71.4)	12.0 (77.4)	12.56 (2.51)	99.7 (82.5)	1.57 (0.80)	62 (8)	6.00	97
	8	57.24	73.66	236.43	90	90	90	60−2.7 (2.9−2.7)	6.73 (6.68)	99.8 (99.8)	12.6 (71.2)	13.6 (77.4)	11.03 (2.67)	99.9 (86.8)	1.41 (0.94)	54 (16)	5.15	96
	Merged	57.17	73.48	236.45	90	90	90	60−2.7 (2.9−2.7)	42.95 (13.26)	99.9 (99.8)	17.5 (76.0)	17.7 (79.1)	20.68 (3.12)	99.8 (91.7)	2.26 (0.85)	78 (17)	10.14	98
KR2 I222	Native	40.62	83.66	234.46	90	90	90	60−2.5 (2.65−2.5)	6.58 (6.45)	99.7 (99.6)	9.6 (85.9)	10.5 (93.7)	13.73 (2.10)	99.8 (81.2)	0.84 (0.81)	15 (19)	1.42	44
	1	40.50	83.66	234.13	90	90	90	60−2.8 (3.0−2.8)	6.85 (6.72)	99.7 (99.8)	13.5 (83.0)	14.6 (89.9)	11.87 (2.44)	99.8 (80.7)	1.22 (0.80)	41 (10)	6.76	97
	2	40.52	83.63	233.80	90	90	90	60−2.8 (3.0−2.8)	6.82 (6.71)	99.8 (99.7)	13.7 (77.0)	14.8 (83.5)	11.92 (2.60)	99.6 (87.2)	1.24 (0.79)	44 (7)	7.26	98
	3	40.51	83.75	234.10	90	90	90	60−2.5 (2.65−2.5)	6.73 (6.60)	99.9 (100)	11.3 (75.4)	12.3 (82.0)	11.95 (2.35)	99.9 (79.7)	1.22 (0.76)	42 (0)	7.64	98
	4	40.72	83.99	234.21	90	90	90	60−2.65 (2.8−2.65)	6.71 (6.40)	99.8 (99.7)	10.6 (64.0)	11.5 (69.7)	12.70 (2.66)	99.6 (89.0)	1.25 (0.77)	46 (5)	6.96	98
	Merged	40.56	83.76	234.06	90	90	90	60−2.5 (2.65−2.5)	22.06 (6.60)	100 (100)	13.7 (75.1)	14.0 (81.6)	19.43 (2.30)	99.9 (80.0)	1.64 (0.75)	60 (1)	13.23	99
MACR P1	Native	40.76	56.85	57.65	63.6	79.0	80.1	60−2.0 (2.2−2.0)	1.05 (1.07)	76.2 (73.1)	7.3 (26.7)	10.3 (37.9)	6.43 (1.81)	99.5 (86.2)	n/a	n/a	n/a	n/a
	1	40.77	56.89	57.28	63.8	78.6	80.2	60−2.2 (2.4−2.2)	1.86 (1.81)	70.1 (23.0)	5.1 (27.2)	7.2 (38.5)	10.40 (2.61)	99.5 (87.0)	1.16 (0.88)	43 (8)	3.61	91
	2	40.75	56.87	57.32	63.6	78.4	80.2	60−2.4 (2.6−2.4)	1.85 (1.79)	72.5 (20.0)	6.4 (44.9)	9.0 (63.4)	7.86 (1.55)	99.5 (72.4)	1.07 (0.87)	36 (22)	3.14	89
	3	40.79	56.77	57.29	63.6	78.5	80.2	60−2.0 (2.2−2.0)	1.88 (1.84)	81.9 (72.3)	5.1 (38.3)	7.2 (54.2)	8.64 (1.86)	99.7 (70.4)	1.07 (0.76)	35 (−5)	3.49	90
	Merged	40.77	56.84	57.30	63.7	78.5	80.2	60−2.0 (2.2−2.0)	3.68 (1.84)	89.4 (71.8)	7.9 (38.7)	9.0 (54.8)	11.03 (1.81)	99.7 (69.5)	1.22 (0.75)	46 (−5)	4.85	95
A2AAR-BRIL-ΔC C2221	Native	39.62	179.54	139.71	90	90	90	60−2.4 (2.6−2.4)	2.94 (2.98)	99.6 (99.8)	9.4 (41.1)	11.5 (50.2)	9.60 (2.74)	99.5 (80.4)	0.77 (0.77)	−4 (−1)	0.74	−14
	1	39.63	179.66	139.57	90	90	90	60−3.4 (3.6−3.4)	6.93 (6.96)	100 (100)	24.8 (73.6)	26.8 (79.5)	7.33 (2.56)	99.1 (81.2)	0.96 (0.79)	17 (0)	1.94	71
	2	39.65	179.79	139.81	90	90	90	60−2.8 (3.0−2.8)	6.87 (6.87)	99.7 (99.0)	18.5 (78.1)	20.0 (84.5)	8.83 (2.29)	99.4 (76.0)	0.98 (0.76)	18 (−5)	2.57	82
	3	39.40	179.87	139.52	90	90	90	60−3.6 (3.8−3.6)	6.67 (6.54)	99.9 (99.8)	23.5 (72.1)	25.5 (78.5)	8.45 (3.21)	99.2 (82.8)	1.13 (1.08)	46 (41)	1.96	72
	4	39.57	179.76	139.99	90	90	90	60−3.8 (4.0−3.8)	6.83 (6.79)	99.9 (99.9)	30.7 (84.7)	33.3 (91.9)	6.67 (2.97)	98.6 (72.0)	0.96 (0.91)	19 (8)	1.59	63
	5	39.60	179.10	139.42	90	90	90	60−3.0 (3.2−3.0)	3.02 (2.98)	98.9 (99.0)	14.5 (65.7)	17.6 (80.1)	7.06 (1.67)	98.7 (56.6)	0.93 (0.75)	16 (−3)	2.06	74
	6	39.50	179.46	139.40	90	90	90	60−3.4 (3.6−3.4)	6.85 (6.52)	99.9 (100)	19.9 (69.1)	21.5 (75.2)	9.61 (3.20)	99.4 (80.6)	1.07 (0.89)	27 (5)	2.46	81
	7	39.63	179.65	139.96	90	90	90	60−3.2 (3.4−3.2)	6.27 (5.83)	99.9 (99.7)	21.1 (68.3)	23.1 (75.1)	8.86 (2.61)	98.9 (84.4)	1.02 (0.92)	24 (12)	2.06	76
	Merged	39.57	179.61	139.67	90	90	90	60−2.8 (3.0−2.8)	27.10 (6.88)	99.8 (99.1)	24.5 (77.6)	24.9 (83.9)	14.55 (2.25)	99.8 (76.1)	1.24 (0.73)	35 (−3)	4.83	94