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. Author manuscript; available in PMC: 2011 Apr 1.
Published in final edited form as: Proteins. 2010 Apr;78(5):1331–1337. doi: 10.1002/prot.22666

Table 1.

Summary of crystallography statistics

Data Collection
 PDB ID code 3HP3 3GV3
 Space group P212121 P3221
 Cell dimensions
  a, b, c (Å) 41.83, 117.46, 134.50 55.51, 55.51, 45.96
  α, β, γ (°) 90, 90, 90 90, 90, 120
 Wavelength (Å) 1.04 1.0809
 Resolution rangea (Å) 29.2 – 2.20 (2.28 – 2.20) 30.0 – 1.60 (1.66 – 1.60)
 <I>/<σ I> 47.8 (4.1) 26.8 (4.3)
 Completeness 99.9% (99.9%) 98.8% (100%)
 Rmerge 0.063 (0.667) 0.074 (0.491)
 Redundancy 14.0 (14.1) 10.4 (10.5)
Refinement
 Number of refelections 1418341 113767
 Unique reflections 39406 (3382) 10951 (1057)
 Rfactor 0.22 0.20
 Rfree 0.27 0.25
 Protein chains 10 1
 Number of atoms 5484 562
  Protein 5241 514
  Water 231 58
 Gold 12 NA
B-factor average 29.7 23.6
 R.m.s. deviations
  Bong lengths (Å) 0.008 0.031
  Bond angles (°) 1.229 2.405
 Molprobity clash score 12.6 16.2
Ramachandran plot
 Most favored (%) 94.33 98.36
 Allowed (%) 4.21 1.64
 Generously Allowed (%) 1.46 0
a

Highest resolution shell is shown in parenthesis.