6RX5
Trypanosoma brucei PTR1 (TbPTR1) in complex with inhibitor 1 (NMT-C0003)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-05-04 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.91731 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 74.860, 90.700, 82.950 |
| Unit cell angles | 90.00, 115.73, 90.00 |
Refinement procedure
| Resolution | 57.670 - 1.420 |
| R-factor | 0.13948 |
| Rwork | 0.138 |
| R-free | 0.17530 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5jdc |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.698 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 57.670 | 1.500 |
| High resolution limit [Å] | 1.420 | 1.420 |
| Rmerge | 0.053 | 0.290 |
| Rmeas | 0.062 | 0.337 |
| Rpim | 0.031 | 0.170 |
| Number of reflections | 187289 | 27201 |
| <I/σ(I)> | 11 | 2.2 |
| Completeness [%] | 99.8 | 99.4 |
| Redundancy | 3.8 | 3.9 |
| CC(1/2) | 0.998 | 0.926 |
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 |
