4ZDK
Crystal structure of the M. tuberculosis CTP synthase PyrG in complex with UTP, AMP-PCP and oxonorleucine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SOLEIL BEAMLINE PROXIMA 1 |
| Synchrotron site | SOLEIL |
| Beamline | PROXIMA 1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2012-07-18 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9150 |
| Spacegroup name | I 21 21 21 |
| Unit cell lengths | 121.732, 194.724, 207.457 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.680 - 3.490 |
| R-factor | 0.2034 |
| Rwork | 0.203 |
| R-free | 0.21410 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4zdj |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.010 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.10.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.680 | 3.670 |
| High resolution limit [Å] | 3.490 | 3.490 |
| Rmerge | 0.091 | 1.128 |
| Number of reflections | 31727 | |
| <I/σ(I)> | 16.7 | 2.1 |
| Completeness [%] | 99.6 | 98 |
| Redundancy | 8.8 | 8.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 9 | 291 | 30% PEG2000 MME, 100 mM bicine pH 9.0, 100 mM NaCl |
