6EE1
Crystal structure of Mycobacterium tuberculosis ICL2 in complex with acetyl-CoA
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-02-01 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.95372 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 105.475, 169.972, 106.425 |
| Unit cell angles | 90.00, 95.26, 90.00 |
Refinement procedure
| Resolution | 48.920 - 2.360 |
| R-factor | 0.19992 |
| Rwork | 0.198 |
| R-free | 0.23236 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.945 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0230) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.870 | 2.440 |
| High resolution limit [Å] | 2.360 | 2.360 |
| Number of reflections | 152900 | |
| <I/σ(I)> | 7 | |
| Completeness [%] | 100.0 | |
| Redundancy | 7.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291 | 9% w/v PEG 4K, 18% v/v glycerol, 0.02 M amino acids, 0.1 M MES/imidazole pH 6.9 |
