4ZDI
Crystal structure of the M. tuberculosis CTP synthase PyrG (apo form)
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 | 2012-05-11 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9801 |
| Spacegroup name | P 43 |
| Unit cell lengths | 196.826, 196.826, 184.047 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.210 - 3.520 |
| R-factor | 0.2132 |
| Rwork | 0.213 |
| R-free | 0.22090 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4zdj |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.890 |
| 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] | 49.210 | 3.580 |
| High resolution limit [Å] | 3.520 | 3.520 |
| Rmerge | 0.137 | 0.998 |
| Number of reflections | 85758 | |
| <I/σ(I)> | 8.6 | 1.3 |
| Completeness [%] | 98.4 | 92.1 |
| Redundancy | 3.8 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 291 | 10% PEG8000, 200 mM Ca acetate, 100 mM Hepes pH 7.5 |
