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. 2009 Nov 27;65(Pt 12):1258–1260. doi: 10.1107/S1744309109043152

Table 1. Data-collection and refinement statistics.

Values in parentheses are for the outer resolution shell.

X-ray source, beamline BESSY II, BL14.1
Wavelength (Å) 0.918
Resolution (Å) 30.00–1.37 (1.40–1.37)
Space group P61
Unit-cell parameters (Å) a = b = 86.07, c = 61.98
No. of observations 604711
No. of unique reflections 51840
Completeness (%) 94.5 (65.8)
Redundancy 7.4 (5.9)
Rmerge 0.054 (0.588)
I/σ(I) 34.1 (2.6)
Wilson B factor (Å2) 16
No. of residues in ASU 239
No. of water molecules 285
Other localized ions 5 Cl, 1 Na+
No. of localized non-H atoms 2389
R.m.s.d. bonds (Å) 0.01
R.m.s.d. angles (°) 1.11
Mean ADP for protein atoms (Å2) 22
Mean ADP for solvent molecules (Å2) 46
Mean ADP for all atoms (Å2) 25
Rwork 0.133
Rfree 0.184
Rall 0.135
No. of reflections for Rfree calculation 1982 [4%]