6P3T
Crystal structure of Eis from Mycobacterium tuberculosis in complex with inhibitor SGT449
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 | 2019-04-12 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.000 |
Spacegroup name | H 3 2 |
Unit cell lengths | 175.636, 175.636, 122.749 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 35.000 - 2.500 |
R-factor | 0.169 |
Rwork | 0.167 |
R-free | 0.20492 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3r1k |
RMSD bond length | 0.005 |
RMSD bond angle | 1.069 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0230) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.540 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.098 | 0.669 |
Number of reflections | 25046 | 1229 |
<I/σ(I)> | 17.9 | |
Completeness [%] | 99.6 | 99.5 |
Redundancy | 5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 294 | 100 mM Tris-HCl pH 8.0 adjusted at room temperature, 10% w/v PEG 8000, and 400 mM (NH4)2SO4 |