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 |
