9I35
Alpha-Methylacyl-CoA racemase from Mycobacterium tuberculosis in complex with octanoyl-CoA
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 | 2024-04-25 |
| Detector | DECTRIS EIGER2 X 16M |
| Wavelength(s) | 0.953731 |
| Spacegroup name | I 4 2 2 |
| Unit cell lengths | 276.305, 276.305, 390.677 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 225.587 - 2.080 |
| Rwork | 0.201 |
| R-free | 0.23310 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.864 |
| 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] | 225.590 | 225.590 |
| High resolution limit [Å] | 2.080 | 11.370 |
| Rmerge | 0.341 | 0.050 |
| Rmeas | 0.347 | 0.051 |
| Rpim | 0.066 | 0.010 |
| Number of reflections | 443965 | 2989 |
| <I/σ(I)> | 9.2 | 40.3 |
| Completeness [%] | 100.0 | 99.9 |
| Redundancy | 27.5 | 25.8 |
| CC(1/2) | 0.997 | 0.998 |
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 |
