6FVJ
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 | 2017-11-16 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.97934 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 79.070, 224.580, 222.210 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 43.830 - 2.600 |
| R-factor | 0.237 |
| Rwork | 0.236 |
| R-free | 0.25900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.020 |
| 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] | 43.830 | 2.750 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.116 | 0.907 |
| Number of reflections | 61244 | 9662 |
| <I/σ(I)> | 15.9 | |
| Completeness [%] | 99.6 | 98.8 |
| Redundancy | 13.4 | 13.5 |
| CC(1/2) | 0.999 | 0.773 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 45% PEG 600, 0.1 M HEPES pH 7.5 |
