8RHV
Crystal Structure of Trypanosoma brucei PTR1 in complex with the cofactor and inhibitor P30
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-05-13 |
| Detector | DECTRIS EIGER2 X 16M |
| Wavelength(s) | 0.95374 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 74.523, 89.451, 82.632 |
| Unit cell angles | 90.00, 115.26, 90.00 |
Refinement procedure
| Resolution | 74.730 - 1.700 |
| R-factor | 0.18361 |
| Rwork | 0.182 |
| R-free | 0.22120 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.873 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0419) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 89.450 | 1.730 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.034 | 0.696 |
| Rmeas | 0.042 | 0.851 |
| Rpim | 0.024 | 0.483 |
| Number of reflections | 106873 | 5251 |
| <I/σ(I)> | 18.2 | 2 |
| Completeness [%] | 99.3 | 98.5 |
| Redundancy | 5.9 | 5.8 |
| CC(1/2) | 1.000 | 0.808 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5 | 297 | 1.6-2.5 M sodium acetate and 0.1 M sodium citrate, pH 5 |
