5HKL
Crystal structure of Mycobacterium tuberculosis H37Rv orotate phosphoribosyltransferase in complex with inorganic phosphate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID29 |
Synchrotron site | ESRF |
Beamline | ID29 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-02-13 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.90 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 57.262, 56.328, 59.470 |
Unit cell angles | 90.00, 115.10, 90.00 |
Refinement procedure
Resolution | 53.850 - 1.899 |
R-factor | 0.15786 |
Rwork | 0.156 |
R-free | 0.19506 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5hki |
RMSD bond length | 0.018 |
RMSD bond angle | 1.828 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 49.210 | 1.967 |
High resolution limit [Å] | 1.899 | 1.899 |
Rmerge | 0.056 | 0.196 |
Number of reflections | 26990 | |
<I/σ(I)> | 13.6 | 4.78 |
Completeness [%] | 99.1 | 95.53 |
Redundancy | 3.2 | 3.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 277.15 | 0.1M HEPES pH 7.5, 10% (w/v) PEG8000, 8% (v/v) Ethylene glycol, 1mM PRPP |