6HNC
Trypanosoma brucei PTR1 in complex with cycloguanil
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID30B |
| Synchrotron site | ESRF |
| Beamline | ID30B |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-05-10 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.96863 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 74.788, 90.159, 83.020 |
| Unit cell angles | 90.00, 115.77, 90.00 |
Refinement procedure
| Resolution | 66.510 - 1.500 |
| R-factor | 0.17644 |
| Rwork | 0.175 |
| R-free | 0.20745 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5jdc |
| RMSD bond length | 0.012 |
| RMSD bond angle | 2.004 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0232) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 74.760 | 1.580 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.059 | 0.453 |
| Rmeas | 0.072 | 0.553 |
| Rpim | 0.039 | 0.312 |
| Number of reflections | 152088 | 21865 |
| <I/σ(I)> | 7.8 | 2 |
| Completeness [%] | 96.2 | 94.9 |
| Redundancy | 3.1 | 2.9 |
| CC(1/2) | 0.997 | 0.864 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5 | 294 | 2-2.5 M sodium acetate, 0.1 M sodium citrate, pH5 |
