Skip to main content
. 2006 Sep 19;62(Pt 10):949–953. doi: 10.1107/S174430910603613X

Table 1. Statistics for crystallographic structure determination.

Values in parentheses are for the outermost resolution shell.

Data collection  
 Data-collection site ESRF ID14.1
 Detector MAR CCD
 Wavelength (Å) 0.93
 Resolution range (Å) 30–1.9 (1.97–1.90)
 Redundancy 3.6 (2.9)
 Completeness (%) 99.3 (95.6)
 Average I/σ(I) 31.6 (2.9)
Rmerge 0.037 (0.275)
Refinement statistics  
 No. of reflections used 75428
 Total No. of atoms 6201
 No. of water molecules 471
 Resolution range (Å) 29.4-1.9
R factor (Rwork/Rfree) 20.7/23.9
 R.m.s. bond-length deviation (Å) 0.013
 R.m.s. bond-angle deviation (°) 1.32
 Mean B factors (Å2)  
  Main chain 23.2
  Side chain and water 27.3
  GMP 22.8
  All atoms 25.6

R merge = Inline graphic Inline graphic.

R factor = Inline graphic Inline graphic .