9HUU
Trypanosoma brucei PTR1 (TbPTR1) in complex with inhibitor F223
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-02-20 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97622 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 74.554, 90.585, 83.142 |
| Unit cell angles | 90.00, 115.62, 90.00 |
Refinement procedure
| Resolution | 54.040 - 1.850 |
| R-factor | 0.18286 |
| Rwork | 0.180 |
| R-free | 0.23143 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.528 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 57.750 | 1.950 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.046 | 0.501 |
| Rmeas | 0.057 | 0.610 |
| Rpim | 0.032 | 0.344 |
| Number of reflections | 84345 | 12263 |
| <I/σ(I)> | 11.6 | 2 |
| Completeness [%] | 99.2 | |
| Redundancy | 2.9 | 2.9 |
| CC(1/2) | 0.999 | 0.827 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 294 | 2-2.5 M sodium acetate, 0.1 M sodium citrate, pH5 |
