6GCQ
Trypanosoma brucei PTR1 in complex with inhibitor 2b (F192)
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 | 2017-10-21 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.97950 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 74.664, 89.905, 82.855 |
Unit cell angles | 90.00, 115.53, 90.00 |
Refinement procedure
Resolution | 53.970 - 1.580 |
R-factor | 0.17615 |
Rwork | 0.174 |
R-free | 0.20733 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5jdc |
RMSD bond length | 0.016 |
RMSD bond angle | 1.919 |
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] | 57.490 | 1.670 |
High resolution limit [Å] | 1.580 | 1.580 |
Rmerge | 0.043 | 0.381 |
Rmeas | 0.057 | 0.494 |
Rpim | 0.029 | 0.249 |
Number of reflections | 134608 | 19497 |
<I/σ(I)> | 12.4 | 2.5 |
Completeness [%] | 99.7 | 99.3 |
Redundancy | 3.8 | 3.8 |
CC(1/2) | 0.999 | 0.918 |
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 |