6AQO
Crystal structure of hypoxanthine-guanine-xanthine phosphorybosyltranferase in complex with {[(2S)-3-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)propane-1,2-diyl]bis(oxyethane-2,1-diyl)}bis(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 | 2017-03-18 |
Detector | ADSC QUANTUM 270 |
Wavelength(s) | 0.9536 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 61.321, 107.841, 117.693 |
Unit cell angles | 90.00, 96.33, 90.00 |
Refinement procedure
Resolution | 41.320 - 2.640 |
R-factor | 0.194 |
Rwork | 0.191 |
R-free | 0.24900 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6AP3 |
RMSD bond length | 0.003 |
RMSD bond angle | 0.594 |
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] | 41.320 | 2.740 |
High resolution limit [Å] | 2.638 | 2.640 |
Rmerge | 0.065 | 0.555 |
Rpim | 0.048 | 0.411 |
Number of reflections | 44654 | |
<I/σ(I)> | 8.8 | 1.3 |
Completeness [%] | 99.2 | 94 |
Redundancy | 3.5 |
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 |