4WCF
Trypanosoma brucei PTR1 in complex with inhibitor 9
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM30A |
| Synchrotron site | ESRF |
| Beamline | BM30A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-04-14 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97968 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 74.728, 90.206, 82.779 |
| Unit cell angles | 90.00, 115.74, 90.00 |
Refinement procedure
| Resolution | 45.100 - 1.930 |
| R-factor | 0.19545 |
| Rwork | 0.194 |
| R-free | 0.23158 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2x9g |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.716 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0069) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.100 | 2.030 |
| High resolution limit [Å] | 1.930 | 1.930 |
| Rmerge | 0.066 | 0.422 |
| Number of reflections | 74387 | |
| <I/σ(I)> | 12.4 | 3.1 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 3.6 | 3.6 |
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, 0.01 M DTT. |
