5KNP
Crystal structure of Mycobacterium tuberculosis hypoxanthine guanine phosphoribosyltransferase in complex with [3S,4R]-(4-(Hypoxanthin-9-yl)pyrrolidin-3-yl)-oxymethanephosphonic acid
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 | 2013-11-15 |
Detector | ADSC QUANTUM 270 |
Wavelength(s) | 0.9791 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 55.264, 85.678, 154.586 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.440 - 2.450 |
R-factor | 0.235 |
Rwork | 0.230 |
R-free | 0.29790 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4rht |
RMSD bond length | 0.005 |
RMSD bond angle | 0.558 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 46.440 |
High resolution limit [Å] | 2.450 |
Rmerge | 0.119 |
Number of reflections | 27104 |
<I/σ(I)> | 8 |
Completeness [%] | 97.7 |
Redundancy | 5.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 291 | The well solution: 20% PEG8000, 0.1 M Tris-HCl pH 8.5 and 0.2 M MgCl2. The drop consisted of an equal volume of well solution and protein inhibitor complex |