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. 2005 Feb 3;24(5):875–884. doi: 10.1038/sj.emboj.7600565

Table 2.

Refinement statistics

Resolution (Å) 30.0–1.55
Rworka 0.208
Rfreeb 0.243
r.m.s.d. bond distances (Å) 0.012
r.m.s.d bond angles (°) 1.328
Total number of non-H atoms 1230
Av. protein B value (Å2) 21
Number of solvent molecules 123
Av. solvent B value (Å2) 33
Number of ligand atoms 17
Av. ligand B value (Å2) 25
aRwork=∑∣∣F(obs)∣−∣F(calc)∣∣/∑∣F(obs)∣ for the 95% of the reflection data used in refinement.
bRfree=∑∣∣F(obs)∣−∣F(calc)∣∣/∑∣F(obs)∣ for the remaining 5%.