4WCD
Trypanosoma brucei PTR1 in complex with inhibitor 10
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 | 2014-02-03 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.97949 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 74.860, 89.230, 82.650 |
| Unit cell angles | 90.00, 115.53, 90.00 |
Refinement procedure
| Resolution | 44.610 - 1.680 |
| R-factor | 0.18358 |
| Rwork | 0.182 |
| R-free | 0.20938 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2x9g |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.404 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.720 | 1.770 |
| High resolution limit [Å] | 1.680 | 1.680 |
| Rmerge | 0.062 | 0.400 |
| Number of reflections | 110553 | |
| <I/σ(I)> | 9 | 2.4 |
| Completeness [%] | 99.2 | 98.7 |
| Redundancy | 3.8 | 3.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 298 | 0.1 M SODIUM CITRATE PH 5, 1.5-2.5 M SODIUM ACETATE, 10 mM DTT |
