TABLE 2.
Data collection and refinement statistics
| Data collection | C. microcarpa QNS | C. microcarpa ACS |
|---|---|---|
| Unit cell parameter | ||
| Space group | P21 | P6522 |
| a, b, c | 51.7, 135.9, 107.6 Å | 106.0, 106.0, 346.5 Å |
| Resolution range | 50 to 2.47 Å (2.51 to 2.47 Å) | 50 to 2.35 Å (2.39 to 2.35 Å) |
| Completeness | 99.4% (98.7%) | 99.9% (100%) |
| 〈I/σI〉 | 10.7% (2.10%) | 60.9% (10.0%) |
| Rmerge | 10.3% (58.0%) | 7.4% (36.1%) |
| Redundancy | 3.85 (3.85) | 21.0 (17.2) |
| No. of observed reflections | 188,726 | 1,031,666 |
| No. of unique reflections | 49,068 | 49,243 |
| Refinement | ||
| Resolution | 20.0 to 2.47 Å | 34.5 to 2.35 Å |
| Overall Rwork | 19.5% | 18.3% |
| Overall Rfree | 24.1% | 21.8% |
| Total atoms | 12238 | 6624 |
| No. of protein atoms | 12028 | 6173 |
| No. of waters | 198 | 331 |
| No. of ligand | 12 | 120 |
| Average B-factors | ||
| Protein atoms | 39.1 Å2 | 33.2 Å2 |
| Waters | 33.3 Å2 | 33.3 Å2 |
| Ligands | 49.6 Å2 | 56.2 Å2 |
| r.m.s.d. from ideal | ||
| Bond length | 0.01 Å | 0.009 Å |
| Bond angles | 1.301° | 1.208° |