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. 1998 Aug 4;95(16):9099–9104. doi: 10.1073/pnas.95.16.9099

Table 1.

Data collection and refinement statistics

Data statistics
 Space group P1
 Unit cell dimensions a = 71.40, b = 105.71, c = 71.35, α = 104.63, β = 108.91, γ = 71.53
 Molecules/asym. unit 8
 No. of crystals 3
 Resolution, Å 2.1
 Observations, N 1,169,328
 Unique reflections, N 110,459
 Mean redundancy 5.2
 Completeness, % 91.2
Rsym (I), % 9.8
Refinement statistics
 Resolution range, Å 20.0–2.1
 No. of model atoms 12,896
 No. water molecules 200
R-value 0.195
 Free R-value 0.255
rmsd from ideals
 Bond length, Å 0.013
 Bond angle, ○ 2.5
Average B value 33.3
*

Rsym = (Σ|I − 〈I〉|)/(Σ|I|). 

Crystallographic R-value (Σ∥F(Obs)| − |F(Calc)∥)/(Σ|F(Obs)|)) with 95% of the native data for refinement. 

Free R-value: R-value based on 5% of the native data withheld from refinement.