6J1T
Crystal structure of Candida Antarctica Lipase B mutant SR with product analogue
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2017-12-10 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.54178 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 46.642, 80.381, 73.299 |
| Unit cell angles | 90.00, 98.23, 90.00 |
Refinement procedure
| Resolution | 37.048 - 1.783 |
| R-factor | 0.1746 |
| Rwork | 0.173 |
| R-free | 0.20150 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1tca |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.944 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((1.10.1_2155: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.810 |
| High resolution limit [Å] | 1.780 | 1.780 |
| Rmerge | 0.072 | 0.591 |
| Number of reflections | 50420 | 2262 |
| <I/σ(I)> | 27.205 | 2.091 |
| Completeness [%] | 99.2 | |
| Redundancy | 7.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 289 | 0.2 M ammonium sulfate 32% PEG 4000 0.1 M sodium acetate pH 5.6 2% DMSO |
