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. |