6J1S
Crystal structure of Candida Antarctica Lipase B mutant - SS
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 | 2017-06-16 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.97775 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 46.998, 80.417, 73.167 |
| Unit cell angles | 90.00, 98.47, 90.00 |
Refinement procedure
| Resolution | 40.208 - 1.830 |
| R-factor | 0.1896 |
| Rwork | 0.188 |
| R-free | 0.21940 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1tca |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.140 |
| 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 | 1.830 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.081 | 0.289 |
| Number of reflections | 50449 | 2274 |
| <I/σ(I)> | 17.682 | 5.24 |
| Completeness [%] | 99.0 | |
| Redundancy | 6.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 289 | 0.2 M ammonium sulfate 0.1 M sodium citrate pH 5.5 25% PEG 4000 |
