8RHW
Crystal Structure of Trypanosoma brucei PTR1 in complex with the cofactor and inhibitor P31
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-06-22 |
| Detector | DECTRIS EIGER2 X 16M |
| Wavelength(s) | 0.88560 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 74.497, 89.824, 82.502 |
| Unit cell angles | 90.00, 115.44, 90.00 |
Refinement procedure
| Resolution | 67.270 - 1.700 |
| R-factor | 0.18029 |
| Rwork | 0.178 |
| R-free | 0.21765 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.796 |
| 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] | 67.270 | 1.730 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.057 | 0.585 |
| Rmeas | 0.072 | 0.751 |
| Rpim | 0.044 | 0.464 |
| Number of reflections | 107775 | 5333 |
| <I/σ(I)> | 11.3 | 2.1 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 4.8 | |
| CC(1/2) | 0.996 | 0.845 |
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 |
