8TPV
Structure of human hypoxanthine guanine phosphoribzosyltransferase in complex with [2S,4R]-4-Guanin-9-yl-2-(2-phosphonoethoxymethyl)-1-N-(3-phosphonopropionyl)pyrrolidine
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 | PIXEL |
| Collection date | 2019-06-01 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 0.95373 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 55.636, 129.595, 64.325 |
| Unit cell angles | 90.00, 103.80, 90.00 |
Refinement procedure
| Resolution | 43.980 - 2.270 |
| R-factor | 0.175 |
| Rwork | 0.172 |
| R-free | 0.23700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.033 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 43.980 | 2.405 |
| High resolution limit [Å] | 2.220 | 2.220 |
| Rmerge | 0.045 | |
| Rpim | 0.045 | |
| Number of reflections | 42442 | 9236 |
| <I/σ(I)> | 9.5 | 1.8 |
| Completeness [%] | 99.9 | 96.7 |
| Redundancy | 2 | 2.5 |
| CC(1/2) | 0.997 | 0.500 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.3 M calcium acetate, 20% PEG 3350 |
