8RHT
Crystal Structure of Trypanosoma brucei DHFR 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 I24 |
| Synchrotron site | Diamond |
| Beamline | I24 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-03-19 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.99989 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 41.920, 60.928, 68.882 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.640 - 2.900 |
| R-factor | 0.19274 |
| Rwork | 0.188 |
| R-free | 0.29797 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.004 |
| RMSD bond angle | 1.581 |
| 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] | 60.930 | 3.080 |
| High resolution limit [Å] | 2.900 | 2.900 |
| Rmerge | 0.124 | 0.964 |
| Rmeas | 0.147 | 1.134 |
| Rpim | 0.077 | 0.592 |
| Number of reflections | 4243 | 669 |
| <I/σ(I)> | 8.6 | 2.1 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 6.3 | 6.6 |
| CC(1/2) | 0.996 | 0.920 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICROBATCH | 6.5 | 293 | 35% w/v PEG4000, 50 mM ammonium sulfate, 50 mM bis-tris, pH 6.5 |
