7QJS
Crystal structure of a cutinase enzyme from Thermobifida fusca YX (705)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-02-23 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.9119 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 36.164, 150.212, 43.396 |
| Unit cell angles | 90.00, 92.51, 90.00 |
Refinement procedure
| Resolution | 75.106 - 1.429 |
| Rwork | 0.182 |
| R-free | 0.21580 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5zoa |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.857 |
| Data reduction software | autoPROC |
| Data scaling software | STARANISO |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 75.106 | 1.582 |
| High resolution limit [Å] | 1.429 | 1.429 |
| Rmerge | 0.121 | 1.170 |
| Rpim | 0.049 | 0.493 |
| Number of reflections | 57020 | 2851 |
| <I/σ(I)> | 9.3 | 1.5 |
| Completeness [%] | 89.0 | 55.7 |
| Redundancy | 6.9 | 6.4 |
| CC(1/2) | 0.997 | 0.567 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.05 M Cesium Chloride, 0.1 M MES pH 6.5, 30% (v/v) Jeffamine M-600 |
