Table 3. Data-collection, processing and phasing statistics for crystal form C2-90.

Values in parentheses are for the outer shell.

		SeMet	HDPOA-Yb
	Native 4	Se peak	Yb L III peak	L III rising inflection	L III falling inflection	Remote
Data collection
Space group	C2	C2	C2
Unit-cell parameters
a (Å)	401.3	403.5	404.5
b (Å)	139.9	140.4	140.4
c (Å)	141.0	142.1	143.0
β (°)	90.41	90.03	90.33
Beamline	PX1, SOLEIL	PX1, SOLEIL	PX1, SOLEIL
Detector	PILATUS 6M	PILATUS 6M	PILATUS 6M
Wavelength (Å)	0.98011	0.97903	1.38545	1.38592	1.38499	0.95372
E (eV)	12650	12664	8949	8946	8952	13000
ϕtotal (°)	400	1520	200	180	180	360
Δϕ (°)	0.1	0.1	0.1	0.1	0.1	0.1
Data processing
Resolution (Å)	79.9–3.36 (3.44–3.36)	71.1–3.59 (3.69–3.59)	49.2–4.00 (4.24–4.00)	49.2–4.00 (4.24–4.00)	49.2–4.00 (4.24–4.00)	49.2–4.00 (4.10–4.00)
Total No. of reflections	846467 (63472)	2592789 (126603)	258956 (40241)	231002 (36126)	231045 (36026)	466906 (34716)
Unique reflections†	110892 (8124)	181271 (12905)	130172 (20513)	128213 (20343)	128253 (20291)	132998 (9862)
Multiplicity	7.6 (7.8)	14.3 (9.8)	2.0 (2.0)	1.8 (1.8)	1.8 (1.8)	3.5 (3.5)
Completeness (%)	99.8 (97.6)	99.6 (95.2)	97.2 (95.2)	96.4 (95.2)	96.3 (94.9)	99.7 (99.7)
R meas (%)	21.3 (254.7)	19.9 (391.7)	10.7 (135.4)	9.2 (90.2)	9.7 (95.6)	12.9 (190.2)
〈I/σ(I)〉	8.52 (0.83)	11.20 (0.93)	7.08 (0.94)	8.05 (1.36)	7.80 (1.29)	8.01 (0.92)
CC1/2	0.996 (0.303)	0.999 (0.375)	0.997 (0.489)	0.998 (0.645)	0.997 (0.624)	0.997 (0.435)
Wilson B (Å2)	97.2	159.3	160.8	151.7	150.8	159.4
Phasing/markers
Sites	N/A	90 Se	4 Yb	4 Yb	4 Yb	4 Yb + 7 Zn
FOM (exp/DM)	N/A	N/A	0.27/0.68

^†For anomalous data, Friedel pairs were treated as separate reflections.