6ISQ
structure of Lipase mutant with oxided Cys-His-Asp catalytic triad
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 | 44.691, 132.375, 52.422 |
| Unit cell angles | 90.00, 90.04, 90.00 |
Refinement procedure
| Resolution | 37.038 - 1.860 |
| R-factor | 0.162 |
| Rwork | 0.161 |
| R-free | 0.18930 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1tca |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.456 |
| 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 | 1.890 |
| High resolution limit [Å] | 1.860 | 1.860 |
| Rmerge | 0.141 | 0.675 |
| Number of reflections | 51204 | 2499 |
| <I/σ(I)> | 14 | 2 |
| Completeness [%] | 99.7 | |
| Redundancy | 5.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 289 | 0.1M sodium acetate, pH 6.0 25% PEG4000 8% isopropanol 0.5% N,N-dimethyldodecylamine oxide(DDAO) |
