TABLE 1.

Statistics of diffraction data and structure refinement

The highest resolution shell is shown in parentheses.

	Edge	Peak	High remote	Low remote	Native
Data collection
Source	Photon Factory-BL5
Detector	ADSC Quantum 315
Wavelength	0.97928 Å	0.97909 Å	0.96405 Å	0.98317 Å	1.00000 Å
Space group	P43212
Cell dimensions
a = b	72.940 Å	72.904 Å	72.964 Å	72.985 Å	72.968 Å
c	32.004 Å	31.981 Å	32.022 Å	32.038 Å	32.561 Å
Resolution	50.0-1.7 Å	50.0-1.4 Å
Total observations	122,025	122,954	122,696	122,010	226,728
Unique reflections	9340	9386	9393	9393	17,371
Rmerge	7.1% (27.8%)	9.0% (27.8%)	6.4% (26.6%)	4.8% (26.2%)	4.8% (35.6%)
I/σI	14.7	15.0	14.8	14.6	13.1
Completeness	96.5% (75.9%)	97.2% (80.3%)	97.0% (78.1%)	96.9% (77.7%)	97.0% (82.5%)
Redundancy	13.1 (9.9)	13.1 (10.1)	13.1 (10.0)	13.0 (9.6)	13.1 (11.0)
Refinement
Resolution	50.00 to 1.40 Å
Rwork/Rfree	17.0/20.1%
No. of atoms	920
Protein	838
Sulfate	5
Water	77
B-factors
Main chain	8.8 Å2
Side chain	10.8 Å2
Sulfate	18.0 Å2
Water	23.9 Å2
All Atoms	11.0 Å2
r.m.s.d.
Bond lengths	0.016 Å
Bond angles	1.697°
Ramachandran plot
Most favored	93.1%
Additional allowed	6.9%
Generously allowed	0%