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. 2016 Mar;122:235–242. doi: 10.1016/j.biochi.2015.09.013

Table 1.

Data processing and refinement statistics for 3K65.

Crystal

Space group P41212
Cell dimensions (Å) a = b = 73.53 c = 205.88
α = β = γ = 90
Solvent content (%) 62.4
Data Processing
Wavelength (Å) 0.97 (Diamond I04)
Resolution (Å) 51.50–1.85 1.95–1.85
Total reflections 369318 54430
Unique reflections 48719 7012
Multiplicity 7.6 7.8
<I/σ(I)> 16.5 3.7
Completeness (%) 99.0 99.5
Rmerge 9.1 37.4
Model Details
# of atoms:
 Protein 2779
 Water 231
 Average B-factor (Å2) 36.4



Refinement Statistics 12.00–1.85 1.90–1.85
Reflections (working/free) 46006/2463 3286/173
Rfactor/Rfree (%) 20.8/23.3 32.8/31.5
r.m.s. deviation from ideality bonds (Å)/Angles (°) 0.028/2.19
Ramachandran plot (%)
 Most favored 95.6
 Additionally allowed 4.4
 Outliers 0.0