9I2T
Alpha-Methylacyl-CoA racemase from Mycobacterium tuberculosis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-09-21 |
| Detector | DECTRIS EIGER2 X 16M |
| Wavelength(s) | 0.953731 |
| Spacegroup name | I 4 2 2 |
| Unit cell lengths | 275.450, 275.450, 388.331 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 224.670 - 2.400 |
| Rwork | 0.212 |
| R-free | 0.25040 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.629 |
| Data reduction software | DIALS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0430 (refmacat 0.4.88)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 224.670 | 224.670 |
| High resolution limit [Å] | 2.400 | 13.150 |
| Rmerge | 0.404 | 0.062 |
| Rmeas | 0.063 | |
| Rpim | 0.078 | 0.017 |
| Number of reflections | 286594 | 1959 |
| <I/σ(I)> | 7.6 | 23.6 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 27.7 | |
| CC(1/2) | 0.996 | 0.999 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 295.15 | 4 M ammonium acetate, 0.1 M Bis-Trispropane, pH 7.0 |
