6J1P
Crystal structure of Candida Antarctica Lipase B mutant - SR
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL18U1 |
| Synchrotron site | SSRF |
| Beamline | BL18U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-01-14 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.97854 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 46.403, 80.013, 72.968 |
| Unit cell angles | 90.00, 97.96, 90.00 |
Refinement procedure
| Resolution | 36.815 - 1.759 |
| R-factor | 0.1814 |
| Rwork | 0.180 |
| R-free | 0.20780 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1tca |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.824 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((1.10.1_2155: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.790 |
| High resolution limit [Å] | 1.759 | 1.759 |
| Rmerge | 0.090 | 0.834 |
| Number of reflections | 52265 | 2600 |
| <I/σ(I)> | 24.062 | 2 |
| Completeness [%] | 99.9 | |
| Redundancy | 6.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 289 | 0.2 M ammonium sulfate 32% PEG 4000 0.1 M sodium acetate pH 5.6 |
