6J1R
Crystal structure of Candida Antarctica Lipase B mutant - RR
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 | 2017-11-25 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.97853 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 47.023, 80.670, 73.646 |
| Unit cell angles | 90.00, 98.48, 90.00 |
Refinement procedure
| Resolution | 46.509 - 1.601 |
| R-factor | 0.1782 |
| Rwork | 0.176 |
| R-free | 0.21510 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1tca |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.560 |
| 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 | 1.630 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.077 | 0.666 |
| Number of reflections | 70816 | 3349 |
| <I/σ(I)> | 20.977 | 2.636 |
| Completeness [%] | 99.0 | |
| Redundancy | 6.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 289 | 0.2M lithium sulfate 0.1M Tris 7.5 30% PEG3000 3% 2-methyl-2,4-pentadiol |
