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. 2010 Oct 27;66(Pt 11):1432–1435. doi: 10.1107/S1744309110037085

Table 1. Data-collection, phasing and refinement information.

Values in parentheses are for the highest resolution shell.

Unit-cell parameters (Å, °) a = 50.36, b = 80.78, c = 104.77, β = 100.21
Space group P21 (No. 4)
Data collection
 Wavelength (Å) 0.97918
 No. of images 242
 Resolution (Å) 20–2.55 (2.59–2.55)
 No. of unique reflections 26859 (1205)
 Completeness (%) 98.6 (89.9)
 Mean I/σ(I) 31.1 (3.3)
 Redundancy 4.3 (2.5)
Rmerge 0.088 (0.263)
Refinement
 Resolution range (Å) 20–2.60
 No. of reflections (work/test) 24041/1224
Rcryst/Rfree 0.217/0.287
 R.m.s.d. (bond lengths) (Å) 0.0041
 R.m.s.d. (bond angles) (Å) 1.09
 Average B (chain A/chain B) (Å2) 45.7/52.9
 No. of non-H protein atoms 6512
 No. of Zn atoms 4
 No. of water molecules 180

R merge = Inline graphic Inline graphic, where I i(hkl) is the intensity of the ith observation and 〈I(hkl)〉 is the mean for that set of observations.

R cryst = Inline graphic Inline graphic, where |F obs| and |F calc| are the observed and calculated structure-factor amplitudes for reflection hkl in the working set; R free is the same for the test set.