6VUW
Crystal structure of Eis from Mycobacterium tuberculosis in complex with inhibitor SGT368
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 | 2018-07-11 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1 |
Spacegroup name | H 3 2 |
Unit cell lengths | 174.996, 174.996, 123.716 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 40.000 - 2.870 |
R-factor | 0.1708 |
Rwork | 0.168 |
R-free | 0.22700 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3r1k |
RMSD bond length | 0.007 |
RMSD bond angle | 1.551 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.900 |
High resolution limit [Å] | 2.870 | 2.870 |
Rmerge | 0.236 | 1.034 |
Number of reflections | 16618 | 813 |
<I/σ(I)> | 10.6 | |
Completeness [%] | 99.6 | |
Redundancy | 6.2 | |
CC(1/2) | 0.973 | 0.748 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 295 | 100 mM Tris-HCl pH 8.5 adjusted at room temperature, 10% w/v PEG 8000, and 500 mM (NH4)2SO4 |