Table 5. Br-SAD 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 ${\mathit{R}}_{\mathrm{merge}}=\frac{{\sum }_{\mathit{h}}{\sum }_{\mathit{i}=1}^{\mathit{N}}|{\mathit{I}}_{(\mathit{h})\mathit{i}}-\langle |{\mathit{I}}_{(\mathit{h})}\rangle |}{{\sum }_{\mathit{h}}{\sum }_{\mathit{i}=1}^{\mathit{N}}{\mathit{I}}_{(\mathit{h})\mathit{i}}}$; redundancy-independent merging R value ${\mathit{R}}_{\mathrm{meas}}=\frac{{\sum }_{\mathit{h}}\sqrt{\frac{\mathit{N}}{\mathit{N}-1}}{\sum }_{\mathit{i}=1}^{\mathit{N}}|{\mathit{I}}_{(\mathit{h})\mathit{i}}-\langle {\mathit{I}}_{(\mathit{h})}\rangle |}{{\sum }_{\mathit{h}}{\sum }_{\mathit{i}=1}^{\mathit{N}}{\mathit{I}}_{(\mathit{h})\mathit{i}}}$; 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	λ (Å)	Unit cell dimensions (Å, o)
			a	b	c	α	β	γ	Resolution (Å)	Multiplicity	Completeness (%)	Rmerge (%)	Rmeas (%)	<I/σ(I)>	CC1/2 (%)	SigAno	CCanom (%)	SigAnoinner	CCanom_inner (%)
NarQ F222	1	0.8729	57.87	74.79	237.85	90	90	90	60–2.8 (3.0–2.8)	2.09 (2.11)	83.2 (45.2)	14.5 (105.4)	18.2 (132.8)	5.53 (1.21)	99.4 (47.7)	0.82 (0.71)	6 (10)	1.12	37
	2	0.8729	57.70	74.34	237.70	90	90	90	60–2.8 (3.0–2.8)	4.03 (4.12)	98.2 (92.6)	18.1 (106.9)	20.8 (122.7)	6.99 (1.36)	99.5 (58.3)	0.83 (0.74)	8 (3)	1.56	55
	3	0.8729	58.21	73.57	237.42	90	90	90	60–2.8 (3.0–2.8)	4.81 (4.87)	99.2 (99.2)	21.3 (105.1)	24.0 (117.9)	5.85 (1.43)	99.5 (65.2)	0.82 (0.67)	13 (1)	1.27	45
	14	0.8729	57.53	73.91	237.23	90	90	90	60–2.6 (2.8–2.6)	4.31 (4.06)	93.2 (68.4)	15.7 (101.1)	17.9 (116.5)	7.38 (1.26)	99.5 (60.1)	0.86 (0.71)	11 (3)	1.50	61
	15	0.8729	57.52	74.44	237.76	90	90	90	60–2.8 (3.0–2.8)	2.58 (2.40)	93.5 (87.6)	14.0 (59.6)	17.5 (74.6)	5.83 (1.47)	98.9 (66.1)	0.85 (0.74)	18 (−2)	1.14	56
	16	0.8729	57.76	74.22	238.68	90	90	90	60–2.6 (2.8–2.6)	2.89 (2.98)	97.4 (98.4)	10.8 (73.5)	13.0 (88.8)	8.13 (1.55)	99.6 (59.7)	0.87 (0.75)	9 (2)	1.80	74
	24	0.8729	57.51	74.20	237.26	90	90	90	60–2.2 (2.4–2.2)	2.31 (2.22)	91.6 (76.8)	11.4 (125.6)	14.5 (160.1)	5.85 (0.62)	99.6 (69.2)	0.83 (0.65)	12 (4)	1.69	79
	Merged		57.73	74.21	237.70	90	90	90	60–2.8 (3.0–2.8)	22.3 (21.3)	94.2 (100)	19.7 (85.9)	20.1 (88.0)	17.3 (5.0)	99.9 (96.6)	0.98 (0.75)	20 (3)	2.77	90
KR2 I222	32	0.91968	40.67	83.73	234.46	90	90	90	60–2.8 (3.0–2.8)	6.68 (6.45)	89.4 (44.7)	24.0 (176.7)	26.1 (191.6)	7.44 (1.11)	99.6 (49.4)	0.97 (0.65)	43 (3)	1.75	67
	33	0.91968	40.78	83.62	234.38	90	90	90	60–3.0 (3.2–3.0)	6.82 (7.05)	100 (100)	26.3 (159.7)	28.6 (172.5)	7.43 (1.33)	99.6 (47.5)	0.92 (0.70)	21 (−8)	1.87	71
	37	0.91968	40.67	83.32	234.10	90	90	90	60–2.8 (3.0–2.8)	6.77 (6.64)	99.5 (99.2)	16.1 (118.5)	17.4 (128.7)	9.85 (1.61)	99.8 (78.1)	0.88 (0.72)	17 (7)	1.69	67
	38	0.91968	40.58	83.31	234.04	90	90	90	60–2.8 (3.0–2.8)	6.85 (7.05)	99.6 (99.4)	14.4 (103.8)	15.6 (112.3)	10.06 (1.73)	99.8 (84.9)	0.90 (0.76)	19 (7)	1.75	69
	39	0.91968	40.56	83.46	233.45	90	90	90	60–3.0 (3.2–3.0)	6.74 (6.54)	96.1 (79.3)	17.0 (121.3)	18.4 (131.7)	9.52 (1.35)	99.9 (74.9)	0.90 (0.73)	21 (14)	1.65	61
	Merged		40.65	83.49	234.09	90	90	90	60–2.8 (3.0–2.8)	31.56 (23.48)	100 (100)	23.9 (166.0)	24.3 (169.7)	16.72 (2.49)	99.9 (85.7)	1.03 (0.74)	23 (0)	2.63	80