Table II.
Crystallographic Statistics
| Data Collection | |
|---|---|
| Space group | P21 |
| Lattice constants | 36.1, 65.3, 73.1 Å; β = 99.6° |
| Resolution (Å) | 30.31–1.95 (2.02–1.95) |
| Number observed reflections | 74,218 (4485) |
| Number unique reflections | 24,452 (2431) |
| Redundancy | 3.04 (1.84) |
| Completeness (%) | 99.7 (99.6) |
| Rmerge | 0.052 (0.273) |
| Average I/σ(I) | 12.5 (2.0) |
| Structure Refinement | |
| Resolution (Å) | 30.32–1.95 |
| Rwork/Rfree | 0.204/0.249 |
| Number of atoms | |
| Protein | 2430 |
| Water | 194 |
| r.m.s. deviations from ideal values | |
| Bond lengths (Å) | 0.009 |
| Bond angles (°) | 1.040 |
| Chiral volume (Å3) | 0.061 |
| Ramachandran plot statistics (Procheck) | |
| Residues in most favored regions (%) | 94.0 |
| Residues in additional allowed regions (%) | 6.0 |
| Residues in generously allowed regions (%) | 0.0 |
| Residues in disallowed regions (%) | 0.0 |
| Estimated coordinate error (maximum likelihood e.s.u.) (Å) | 0.115 |
| Average B factor (Å2) | |
| Protein | 43.8 |
| Water | 50.7 |
Statistics for the highest resolution shell are shown in parentheses.