3PL1
Determination of the crystal structure of the pyrazinamidase from M.tuberculosis : a structure-function analysis for prediction resistance to pyrazinamide.
Replaces: 3GBCExperimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-2 |
| Synchrotron site | ESRF |
| Beamline | ID23-2 |
| Temperature [K] | 273 |
| Detector technology | CCD |
| Collection date | 2008-02-15 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.97 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 84.100, 84.100, 100.000 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 42.030 - 2.200 |
| R-factor | 0.19679 |
| Rwork | 0.195 |
| R-free | 0.23996 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1im5 |
| RMSD bond length | 0.026 |
| RMSD bond angle | 2.118 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 42.300 | 2.300 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Number of reflections | 11014 | |
| <I/σ(I)> | 3.4 | |
| Completeness [%] | 92.9 | 72.5 |
| Redundancy | 11.6 | 11.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.6 | 298 | 1.6M Sulfate de Magnesium, pH 6.6, VAPOR DIFFUSION, SITTING DROP, temperature 298.0K |
