4ZDJ
Crystal structure of the M. tuberculosis CTP synthase PyrG in complex with two UTP molecules
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 | I 2 2 2 |
| Unit cell lengths | 79.410, 132.730, 157.630 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 39.800 - 1.990 |
| R-factor | 0.1678 |
| Rwork | 0.167 |
| R-free | 0.18890 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1vcn |
| RMSD bond length | 0.010 |
| RMSD bond angle | 0.970 |
| 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] | 48.900 | 2.040 |
| High resolution limit [Å] | 1.990 | 1.990 |
| Rmerge | 0.052 | 0.717 |
| Number of reflections | 56696 | |
| <I/σ(I)> | 13.5 | 1.7 |
| Completeness [%] | 99.2 | 92.9 |
| Redundancy | 3.7 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 291 | 17% PEG20000, 100 mM MgCl2, 100 mM Tris-HCl pH 8.5 |
