6FW5
TesA a major thioesterase from Mycobacterium tuberculosis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SOLEIL BEAMLINE PROXIMA 1 |
| Synchrotron site | SOLEIL |
| Beamline | PROXIMA 1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-10-25 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97857 |
| Spacegroup name | F 2 2 2 |
| Unit cell lengths | 77.580, 224.650, 226.620 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 39.890 - 2.750 |
| R-factor | 0.272 |
| Rwork | 0.271 |
| R-free | 0.28100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.230 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | BUSTER (2.10.3) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 43.870 | 2.910 |
| High resolution limit [Å] | 2.750 | 2.750 |
| Rmerge | 0.106 | 1.000 |
| Number of reflections | 24307 | 4055 |
| <I/σ(I)> | 10 | 1.4 |
| Completeness [%] | 93.1 | 97.1 |
| Redundancy | 7.2 | 7.2 |
| CC(1/2) | 0.997 | 0.753 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 45% PEG 600, 0.1 M HEPES pH 7.5 |
