8TR1
Crystal structure of trypanosome brucei hypoxanthine guanine phosphopribosyltransferase 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 | 2020-05-11 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 0.937 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 56.862, 88.278, 94.314 |
| Unit cell angles | 90.00, 106.05, 90.00 |
Refinement procedure
| Resolution | 46.460 - 2.460 |
| R-factor | 0.2326 |
| Rwork | 0.230 |
| R-free | 0.28690 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.577 |
| 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] | 46.460 | 2.530 |
| High resolution limit [Å] | 2.460 | 2.460 |
| Number of reflections | 32198 | 2554 |
| <I/σ(I)> | 6.5 | 2.4 |
| Completeness [%] | 98.5 | 99 |
| Redundancy | 3.4 | |
| CC(1/2) | 0.950 | 0.870 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.2 M MgCl2 , 0.1 M Bis-Tris, pH 5.0, 20% 3350 |
