6GDO
Trypanosoma brucei PTR1 in complex with inhibitor 2g (F240)
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 | 2017-11-24 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97625 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 74.369, 89.440, 82.540 |
| Unit cell angles | 90.00, 115.38, 90.00 |
Refinement procedure
| Resolution | 44.720 - 1.780 |
| R-factor | 0.17053 |
| Rwork | 0.169 |
| R-free | 0.20671 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5jdc |
| RMSD bond length | 0.019 |
| RMSD bond angle | 2.194 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0222) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.720 | 1.880 |
| High resolution limit [Å] | 1.780 | 1.780 |
| Rmerge | 0.074 | 0.514 |
| Rmeas | 0.089 | 0.620 |
| Rpim | 0.049 | 0.343 |
| Number of reflections | 93052 | 13512 |
| <I/σ(I)> | 7.9 | 2.6 |
| Completeness [%] | 99.6 | 99.4 |
| Redundancy | 3.2 | 3.1 |
| CC(1/2) | 0.995 | 0.807 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5 | 297 | 2-2.5 M sodium acetate, 0.1 M sodium citrate, pH5 |
