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. 2011 Apr 7;67(Pt 5):455–462. doi: 10.1107/S0907444911008560

Table 1. Statistics for data collection and model refinement.

Values in parentheses are for the last shell.

Space group P21
Unit-cell parameters (Å, °) a = 67.8, b = 74.6, c = 84.7, β = 112.1
Resolution limits (Å) 30.8–2.2 (2.3–2.2)
I/σ(I)〉 15.4 (4.7)
No. of reflections 272397 (35542)
No. of unique reflections 37195 (5261)
Multiplicity 7.3 (6.8)
Rmerge (%) 10.7 (55.7)
Completeness (%) 93.6 (91.4)
Rcryst 0.18 (0.19)
Rfree§ 0.24 (0.26)
Correlation coefficients  
FoFc 0.946
FoFc (free) 0.911
R.m.s. deviations  
 Bond lengths (Å) 0.020
 Bond angles (°) 1.812
Mean B factors (Å2)  
 Protein 16.1
 All atoms 24.5
Model composition  
 Monomers 2
 Residues 798
 Water molecules 211

R merge = Inline graphic Inline graphic, where I i(hkl) and 〈I(hkl)〉 are the intensity of measurement i of I and the mean intensity of the reflection with indices hkl, respectively.

R cryst = Inline graphic Inline graphic, where F obs are observed and F calc are calculated structure-factor amplitudes.

§

The R free set used 5% of randomly chosen reflections.