6AR9
Crystal structure of hypoxanthine-guanine-xanthine phosphorybosyltranferase in complex with [(2-{[2-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)ethyl][(E)-2-phosphonoethenyl]amino}ethoxy)methyl]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 | 2017-02-28 |
| Detector | ADSC QUANTUM 270 |
| Wavelength(s) | 0.95369 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 61.309, 107.338, 117.354 |
| Unit cell angles | 90.00, 96.61, 90.00 |
Refinement procedure
| Resolution | 44.762 - 2.280 |
| R-factor | 0.1771 |
| Rwork | 0.176 |
| R-free | 0.21760 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6AP3 |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.520 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.11.1_2575: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.750 | 2.330 |
| High resolution limit [Å] | 2.280 | 2.280 |
| Rpim | 0.043 | 0.309 |
| Number of reflections | 68796 | |
| <I/σ(I)> | 12.4 | 2 |
| Completeness [%] | 99.9 | 98.6 |
| Redundancy | 7.6 | 7.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5 | 293.15 | 25% PEG 3350, 0.2 M lithium sulfate and 0.1 M Bis-Tris |
