6APT
Trypanosoma brucei hypoxanthine guanine phosphoribosyltransferase in complex with {[(2S)-3-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)propane-1,2-diyl]bis(oxyethane-2,1-diyl)}bis(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 2 2 21 |
| Unit cell lengths | 44.676, 94.401, 110.016 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 44.676 - 1.795 |
| R-factor | 0.1991 |
| Rwork | 0.198 |
| R-free | 0.21200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5jsq |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.244 |
| 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] | 47.530 | 1.830 |
| High resolution limit [Å] | 1.790 | 1.790 |
| Rmerge | 0.929 | |
| Rpim | 0.045 | 0.316 |
| Number of reflections | 43878 | |
| <I/σ(I)> | 11.3 | 2.6 |
| Completeness [%] | 98.8 | 88 |
| Redundancy | 5.5 | 9.9 |
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 |
