4IJQ
Human hypoxanthine-guanine phosphoribosyltransferase in complex with [(2-((Guanine-9H-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 | 2011-12-09 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 0.95 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 56.505, 127.741, 64.756 |
| Unit cell angles | 90.00, 102.01, 90.00 |
Refinement procedure
| Resolution | 19.867 - 2.004 |
| R-factor | 0.1751 |
| Rwork | 0.173 |
| R-free | 0.22260 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.287 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASES |
| Refinement software | PHENIX ((phenix.refine: 1.7.3_928)) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 19.870 |
| High resolution limit [Å] | 2.000 |
| Rmerge | 0.102 |
| Number of reflections | 59187 |
| Completeness [%] | 98.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 291 | 0.2M LiSO4, 30% PEG5000MME, 0.1M Tris-HCl, 0.88mM ligand, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
