Table 1.
Crystallographic data and refinement statistics
| Crystal parameters | Data collection statistics | ||
| Unit cell dimensions | Resolution range | 50.0–1.9 Å | |
| a = 40.04 Å, b = 66.51 Å, c = 80.19 Å | Total reflections | 181,066 | |
| α = 90.00°, β = 97.71°, γ = 90.00° | Unique reflections | 31,832 | |
| Rsym | 3.0% | ||
| Space group | P2 | I/sigma(I) | 23.6 |
| Asymmetric unit | Two molecules | Completeness | 96.4% |
| Refinement statistics | |||
| Resolution range | 50.0–1.9 Å | rms values | |
| Reflections (Fo > 2σ) | 31,686 | Bond length, Å | 0.007 |
| Final model | Bond angles, ° | 1.25 | |
| Protein atoms | 2,702 | NCS molecules, Å | 0.89 |
| Waters atoms | 216 | B-factors, Å | 1.40 |
| Glycerol atoms | 12 | Average B-factors, Å2 | |
| R-factors* | Protein | 16.5 | |
| Rworking | 19.5% | Water | 21.8 |
| Rfree | 23.6% | Glycerol | 23.5 |
*
R-factor: Rworking = Σ| |Fo| − |Fc| |/Σ|Fo|; Rfree = ΣT| |Fo| − |Fc| |/ΣT|Fo|, where T is a test data set of 10% of the total reflections randomly chosen and set aside before refinement.