6APV
Trypanosoma brucei hypoxanthine guanine phosphoribosyltransferase in complex with [(2-{[2-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)ethyl][(E)-2-phosphonoethenyl]amino}ethoxy)methyl]phosphonic 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 | 2016-12-06 |
| Detector | ADSC QUANTUM 270 |
| Wavelength(s) | 0.95369 |
| Spacegroup name | P 21 2 21 |
| Unit cell lengths | 89.480, 94.555, 109.692 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.278 - 1.993 |
| R-factor | 0.1647 |
| Rwork | 0.164 |
| R-free | 0.19810 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5jsq |
| RMSD bond length | 0.009 |
| RMSD bond angle | 0.998 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.11.1_2575: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.440 | 2.840 |
| High resolution limit [Å] | 1.990 | 1.990 |
| Rpim | 0.061 | 0.240 |
| Number of reflections | 64145 | 3961 |
| <I/σ(I)> | 12.3 | 3.7 |
| Completeness [%] | 99.0 | 84.3 |
| Redundancy | 9.4 | 8.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293.15 | 25% PEG 3350, 0.2 M lithium sulfate and 0.1 M Bis-Tris |
