8F4T
Crystal structure of acetyltransferase Eis from M. tuberculosis in complex with proguanil
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-ID |
Synchrotron site | APS |
Beamline | 22-ID |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-07-14 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.0 |
Spacegroup name | H 3 2 |
Unit cell lengths | 175.088, 175.088, 123.104 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 41.070 - 1.930 |
R-factor | 0.17432 |
Rwork | 0.173 |
R-free | 0.20453 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3r1k |
RMSD bond length | 0.012 |
RMSD bond angle | 1.717 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.980 |
High resolution limit [Å] | 1.930 | 1.930 |
Rmerge | 0.098 | 0.720 |
Number of reflections | 53591 | 2636 |
<I/σ(I)> | 22.4 | |
Completeness [%] | 99.5 | |
Redundancy | 7.5 | |
CC(1/2) | 0.980 | 0.870 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 295 | Tris-HCl pH 8.5 (0.1 M), PEG 8000 (10% w/v), and (NH4)2SO4 (0.5 M) |