5HKF
Crystal structure of Mycobacterium tuberculosis H37Rv orotate phosphoribosyltransferase in complex with 5-phospho-alpha-D-ribosyl 1-diphosphate (PRPP)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-12-06 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 1.899 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 56.201, 58.629, 57.224 |
| Unit cell angles | 90.00, 116.86, 90.00 |
Refinement procedure
| Resolution | 51.050 - 2.250 |
| R-factor | 0.18942 |
| Rwork | 0.187 |
| R-free | 0.23340 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5hki |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.691 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 51.050 | 2.330 |
| High resolution limit [Å] | 2.250 | 2.250 |
| Rmerge | 0.045 | 0.131 |
| Number of reflections | 15782 | |
| <I/σ(I)> | 19.66 | 7.08 |
| Completeness [%] | 99.3 | 99.5 |
| Redundancy | 4.7 | 4.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277.15 | 0.1M HEPES pH 7.5, 10% (w/v) PEG6000, 5% (v/v) MPD, 1mM PRPP |
