5W8V
HUMAN HGPRT in complex with [(2-[(guanin-9-yl)methyl]propane-1,3-diyl)bis(oxy)]bis(methylene)diphosphonic 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 | 2017-02-10 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 0.987 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 56.667, 128.399, 65.326 |
| Unit cell angles | 90.00, 102.98, 90.00 |
Refinement procedure
| Resolution | 47.030 - 2.346 |
| R-factor | 0.198 |
| Rwork | 0.196 |
| R-free | 0.24870 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.713 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.8_1069) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 47.030 |
| High resolution limit [Å] | 2.030 |
| Rmerge | 0.081 |
| Rpim | 0.038 |
| Number of reflections | 38550 |
| <I/σ(I)> | 13.9 |
| Completeness [%] | 99.7 |
| Redundancy | 7.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 291 | 20% PEG 3350, 0.2 M sodium bromide, 0.1 M Bis-tris propane, pH 7.5. |
