8FX9
Crystal strucutre of Mycobacterium tuberculosis Mycothiol-S-transferase enzyme
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-F |
| Synchrotron site | APS |
| Beamline | 21-ID-F |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-10-10 |
| Detector | RAYONIX MX-225 |
| Wavelength(s) | 0.97872 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 65.377, 98.891, 49.970 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.430 - 1.360 |
| R-factor | 0.189 |
| Rwork | 0.187 |
| R-free | 0.21570 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.770 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.18.2-3874) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.410 |
| High resolution limit [Å] | 1.360 | 1.360 |
| Rmerge | 0.074 | 0.490 |
| Number of reflections | 31576 | 2669 |
| <I/σ(I)> | 19.61 | |
| Completeness [%] | 99.9 | |
| Redundancy | 12.3 | |
| CC(1/2) | 0.990 | 0.940 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 289 | 0.1 M Tris pH 8.5, 0.2 M Magnesium chloride, 25% PEG 3350 |
