Table 1.

Crystallographic Statistics

Crystals, Unit Cells, and Data Sets
	APSr SAD	APSr MAD			APSr Native
Space Group	P1	P1			P1
a, b, c (Å)	60.25 103.27 140.26	60.24 102.94 140.04	60.03 102.79 139.37
α, β, γ(deg)	90.36 102.38 89.95	90.44 102.45 89.96	90.09 102.57 89.95
SSRL Beam Line	BL 9-2	BL 9-2	BL 9-1
	Peak	Peak	Inflection	Remote
Wavelength (Å)	1.731	1.737	1.742	1.348	0.984
Resolution (Å)	3.01	3.13	3.13	2.99	2.70
Observations	391,272	247,396	223,050	280,915	168,061
Reflections	61,646	56,889	55,324	65,516	85,404
Redundancy	6.3	4.3	4.0	4.3	2.0
Completeness (%) [1]	94.0 (89.0)	98.4 (97.2)	95.6 (93.9)	98.5 (97.8)	95.6 (95.6)
<I>/<σI>	4.5 (2.1)	5.0 (2.1)	5.3 (2.2)	4.1 (2.2)	5.9 (1.9)
Rsymm(I)	0.129 (0.272)	0.146 (0.325)	0.137 (0.299)	0.172 (0.307)	0.105 (0.337)
MAD Phasing
	f ′ (e)	−5.51	−8.45	−0.29
	f ″ (e)	4.37	2.12	2.57
	8 site model at 4.5 Å
	Phasing Power	1.65	2.05	0.66
	Figure of Merit		0.63
	32 site model at 3.5 Å
	Phasing Power	1.26	1.49	0.38
	Figure of Merit		0.53
Refinement
	Resolution Range (Å)		50.0 – 2.70
	Reflections > 0.0 σF		85,402
	R-factor		0.229
	Rfree (% of data)		0.265 (4.7)
	rmsd deviation bonds (Å)		0.008
	rmsd deviation angles (deg)		1.46[2]
Model
	No. of residues / <B-factor> (Å2) [3]
	Subunit A	222 / 31.8	FS4 / 21.6	---
	Subunit B	223 / 46.0	FS4 / 33.5	APS / 108.9
	Subunit C	222 / 28.3	FS4 / 22.9	---
	Subunit D	223 / 45.2	FS4 / 33.7	APS / 109.8
	Subunit E	222 / 28.4	FS4 / 20.2	---
	Subunit F	223 / 46.2	FS4 / 32.6	APS / 111.0
	Subunit G	222 / 32.0	FS4 / 20.2	---
	Subunit H	223 / 46.5	FS4 / 33.1	APS / 106.8
	H2O molecules	151 / 22.1

¹Values for highest resolution shell in parentheses.

²Ramachandran plot: 87.9% of residues in most favored regions; 11.6% in allowed regions; 0.5% in generously allowed regions; 0.1% in disfavored regions.

³The Wilson B value for 2.70 Å native data is 47.7 Ų.