TABLE 2.
Refinement statistics
| Resolution (Å) | 25-2.2 |
| No. reflections | 17,549 (working)/1,971 (test) |
| Rcryst (%)a | 22.84 |
| Rfree (%)b | 25.82 |
| No. of atoms (protein/solvent) | 3037/155 |
| <B> (Å2) | 47.3 (overall)/47.4 (protein)/44.4 (solvent) |
| Root mean square deviation bond length (Å) | 0.006 |
| Root mean square deviation bond angle (°) | 1.153 |
| ϕ/ψ (most favored/additional allowed/disallowed, %/%/%) | 90.8/8.6/0.6 |
a
Rcryst = Σ|Foh – Fch|/ΣFoh, where Foh and Fch are the observed and calculated structure factor amplitudes for the reflection h. The summations are over all reflections.
b
R factor calculated as for Rcryst except using 1,971 observed reflections that were chosen randomly and were not included in refinement.