5HKI
Crystal structure of Mycobacterium tuberculosis H37Rv orotate phosphoribosyltransferase in complex with Fe(III) dicitrate
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 | 2014-11-14 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.976 |
| Spacegroup name | P 1 |
| Unit cell lengths | 52.421, 60.262, 65.181 |
| Unit cell angles | 85.64, 89.90, 79.96 |
Refinement procedure
| Resolution | 64.990 - 2.400 |
| R-factor | 0.19849 |
| Rwork | 0.195 |
| R-free | 0.26015 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2p1z |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.843 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 42.170 | 2.490 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.110 | 0.430 |
| Number of reflections | 18336 | |
| <I/σ(I)> | 8.74 | 2.78 |
| Completeness [%] | 95.3 | 94.4 |
| Redundancy | 3.7 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277.15 | 0.01M Iron(III) chloride hexahydrate, 0.1M Sodium citrate tribasic dihydrate pH 6.1, 10% (v/v) Jeffamine M-600 |
