Table 2.

Data collection and refinement statistics

Data collection
Beam line	ESRF ID23.EH2
Space group	P212121
Cell parameters	a=53.26 Å, b=108.72 Å, c=131.85 Å
	α=β=γ=90°
Wavelength (Å)	0.8726
Resolution (Å)	41.95–2.17 (2.28–2.17)a
Total reflections	154 133 (21 979)
Unique reflections	41 362 (5982)
Rmerge	0.114 (0.338)
Completeness (%)	99.6 (99.9)
Multiplicity	3.7 (3.7)
I/σ(I)	8.3 (3.5)
Refinement
Rwork (%)	21.3
Rfree (%)	24.9
Overall mean B values (Å2)	32.3
Number of amino acid residues per  asymmetric unit	500
Number of water molecules	382
Matthews coefficient	3.05 (water content, 59.7%)
RMSD from ideal values
Bonds/angles (Å/deg)	0.005/0.874
Estimated error based on maximum likelihood
Coordinate/phase (Å/deg)	0.32/25.1
aHighest resolution shell is shown in parenthesis.