Table 1.
X-ray crystallography statistics for the refinement of 4YIW.
| 4YIW | |
|---|---|
| Data collection | |
| Space group | P2(1) (No. 4) |
| Cell constants (a, b, c, β) | 50.18Å 81.68Å 104.53Å 100.29° |
| Resolution (Å) | 19.72 (2.45) Å |
| Total No. of reflections | 211917 |
| No. of averaged reflections (unique reflections) | 32367 |
| Redundancy | 6.5 |
| Rmerge (%) | 14.0 (99.1)† |
| <I/σ(I)> | 5.84 (1.08)† |
| Completeness (%) | 71.0 (99.6)† |
| Refinement | |
| Resolution range (Å) | 19.72-2.45 |
| No. of reflections | 28978 |
| No. of reflections in test set | 1521 |
| Completeness (%) | 99.33 |
| Rcryst (%) | 20.6 |
| Rfree (%) | 26.5 |
| Wilson B factor (Å2) | 36.9 |
| Mean B factor | 42.0 |
| No. of protein molecules in asymmetric unit | 2 |
| R.m.s.d.s from ideal geometry | |
| Bond lengths (Å) | 0.006 |
| Bond angles (°) | 1.023 |
| Ramachandran plot | |
| Favoured (%) | 93.85 |
| Allowed (%) | 5.56 |
| Disallowed (%) | 0.59 |
| No. of solvent molecules | 310 |
| Ligand | Zn |
| NCD | |
| Mean B factor NCD | 67.9 |
| Mean B factor H2O | 34.1 |
†
Highest resolution shell shown in parentheses