1W30
PyrR of Mycobacterium Tuberculosis as a potential drug target
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.3 |
Synchrotron site | ALS |
Beamline | 5.0.3 |
Temperature [K] | 120 |
Detector technology | CCD |
Collection date | 2003-07-15 |
Detector | ADSC CCD |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 66.638, 66.638, 154.716 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 30.000 - 1.900 |
R-factor | 0.206 |
Rwork | 0.205 |
R-free | 0.24400 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1a3c |
RMSD bond length | 0.020 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | EPMR (V. 2.5) |
Refinement software | REFMAC (5.1.24) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 38.800 | 1.920 |
High resolution limit [Å] | 1.860 | 1.850 |
Rmerge | 0.071 | 0.423 |
Number of reflections | 34571 | |
<I/σ(I)> | 13 | 2.4 |
Completeness [%] | 99.6 | 99.8 |
Redundancy | 4.4 | 4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | SITTING DROPS 0.5UL + 0.5UL IN INTELLIPLATE, 0.1M IMIDAZOLE-MALEATE PH 7.5, 26% PEG-MME 2K, 2.8% EDTA. CRYSTAL APPROXIMATELY 50 MICRON RHOMBOID. |