3NZK
Structure of LpxC from Yersinia enterocolitica Complexed with CHIR090 Inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-E |
Synchrotron site | APS |
Beamline | 24-ID-E |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-04-10 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.97917 |
Spacegroup name | P 1 |
Unit cell lengths | 46.812, 47.614, 68.410 |
Unit cell angles | 74.53, 87.87, 68.98 |
Refinement procedure
Resolution | 37.486 - 1.800 |
R-factor | 0.1696 |
Rwork | 0.167 |
R-free | 0.21110 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2ves |
RMSD bond length | 0.007 |
RMSD bond angle | 1.069 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine: 1.5_2)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.860 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.060 | 0.435 |
Number of reflections | 47640 | |
<I/σ(I)> | 15.893 | |
Completeness [%] | 97.1 | 95.7 |
Redundancy | 2.4 | 2.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 298 | 25% PEG 3350, 0.1 M Bis-Tris, 0.2 MgCl2, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |