6EDZ
Crystal structure of Mycobacterium tuberculosis ICL2 in complex with acetyl-CoA, form I
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 | 2017-08-01 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.95373 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 105.423, 170.741, 107.011 |
Unit cell angles | 90.00, 95.00, 90.00 |
Refinement procedure
Resolution | 49.340 - 2.670 |
R-factor | 0.2198 |
Rwork | 0.219 |
R-free | 0.24099 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.004 |
RMSD bond angle | 0.913 |
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] | 106.600 | 2.720 |
High resolution limit [Å] | 2.670 | 2.670 |
Number of reflections | 106792 | |
<I/σ(I)> | 7.1 | |
Completeness [%] | 100.0 | |
Redundancy | 7 |
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 |