8RHU
Crystal Structure of Trypanosoma brucei PTR1 in complex with the cofactor and inhibitor P25
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 | 74.032, 89.646, 84.165 |
| Unit cell angles | 90.00, 115.88, 90.00 |
Refinement procedure
| Resolution | 75.720 - 1.710 |
| R-factor | 0.18681 |
| Rwork | 0.185 |
| R-free | 0.22121 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.850 |
| 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] | 75.720 | 1.740 |
| High resolution limit [Å] | 1.710 | 1.710 |
| Rmerge | 0.046 | 0.655 |
| Rmeas | 0.058 | 0.822 |
| Rpim | 0.034 | 0.490 |
| Number of reflections | 106180 | 5229 |
| <I/σ(I)> | 12.9 | 2 |
| Completeness [%] | 99.4 | 99.4 |
| Redundancy | 4.7 | 4.8 |
| CC(1/2) | 0.999 | 0.835 |
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 |
