9EWR
Crystal structure of an inverse charged cutinase mutant from Saccharopolyspora flava (611)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-12-11 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.9763 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 46.084, 41.316, 124.088 |
| Unit cell angles | 90.00, 99.81, 90.00 |
Refinement procedure
| Resolution | 122.272 - 1.170 |
| Rwork | 0.186 |
| R-free | 0.20380 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.976 |
| Data reduction software | autoPROC |
| Data scaling software | STARANISO |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0425) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 122.272 | 1.321 |
| High resolution limit [Å] | 1.166 | 1.166 |
| Rmerge | 0.081 | 0.765 |
| Rpim | 0.034 | 0.548 |
| Number of reflections | 98981 | 4949 |
| <I/σ(I)> | 7.2 | 1.8 |
| Completeness [%] | 92.5 | 62.3 |
| Redundancy | 6.2 | 3.4 |
| CC(1/2) | 0.989 | 0.029 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 3.5 M Sodium formate, 0.1 M Tris pH 8.5 |
