5KNY
Crystal structure of Mycobacterium tuberculosis hypoxanthine guanine phosphoribosyltransferase in complex with (3-((3R,4R)-3-(Guanin-9-yl)-4-((S)-2-hydroxy-2-phosphonoethoxy)pyrrolidin-1-yl)-3-oxopropyl)phosphonic 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 | 2014-06-27 |
| Detector | ADSC QUANTUM 270 |
| Wavelength(s) | 0.9537 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 54.523, 86.075, 79.824 |
| Unit cell angles | 90.00, 105.95, 90.00 |
Refinement procedure
| Resolution | 44.770 - 2.910 |
| R-factor | 0.2069 |
| Rwork | 0.201 |
| R-free | 0.26240 |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.871 |
| 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] | 44.770 | 3.090 |
| High resolution limit [Å] | 2.910 | 2.910 |
| Rmerge | 0.587 | |
| Number of reflections | 15646 | |
| <I/σ(I)> | 7.8 | 1.8 |
| Completeness [%] | 99.8 | 99.4 |
| Redundancy | 3.8 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 291 | 0.2 M Li2SO4, 0.1 M Sodium acetate pH 4.5 and 30% PEG8000 |
