5ZFM
Ketoreductase LbCR mutant - M6
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL19U1 |
| Synchrotron site | SSRF |
| Beamline | BL19U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-06-09 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.97775 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 69.338, 116.052, 75.183 |
| Unit cell angles | 90.00, 114.33, 90.00 |
Refinement procedure
| Resolution | 44.278 - 2.000 |
| R-factor | 0.1602 |
| Rwork | 0.158 |
| R-free | 0.19460 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.995 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.8.2_1309) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.280 | 2.071 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.197 | 0.516 |
| Number of reflections | 72544 | |
| <I/σ(I)> | 10.143 | |
| Completeness [%] | 99.1 | |
| Redundancy | 6.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291.15 | PEG 4000, MES buffer, sodium chloride, glycyl-glycyl-glycine |
