5KNQ
Crystal structure of Mycobacterium tuberculosis hypoxanthine guanine phosphoribosyltransferase in complex with [3S,4R]-(4-(Guanin-9-yl)pyrrolidin-3-yl)oxymethanephosphonic acid and pyrophosphate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX1 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-08-20 |
| Detector | ADSC QUANTUM 270 |
| Wavelength(s) | 0.9537 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 56.262, 85.507, 81.468 |
| Unit cell angles | 90.00, 107.22, 90.00 |
Refinement procedure
| Resolution | 42.754 - 2.553 |
| R-factor | 0.1911 |
| Rwork | 0.187 |
| R-free | 0.23670 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4rht |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.757 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.500 | 2.670 |
| High resolution limit [Å] | 2.550 | 2.550 |
| Rmerge | 0.084 | 0.697 |
| Number of reflections | 23974 | |
| <I/σ(I)> | 10.6 | 1.5 |
| Completeness [%] | 99.6 | 99 |
| Redundancy | 3.8 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 291 | 20% PEG8000, 0.1 M Tris-HCl pH 8.5 and 0.2 M MgCl2 |
