7OPJ
Trypanosoma brucei PTR1 (TbPTR1) in complex with pyrimethamine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-07-29 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.9184 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 74.900, 91.030, 82.800 |
Unit cell angles | 90.00, 115.63, 90.00 |
Refinement procedure
Resolution | 18.070 - 1.340 |
R-factor | 0.1323 |
Rwork | 0.130 |
R-free | 0.17390 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6tbx |
RMSD bond length | 0.015 |
RMSD bond angle | 2.076 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 18.280 | 1.410 |
High resolution limit [Å] | 1.340 | 1.340 |
Rmerge | 0.056 | 0.345 |
Rmeas | 0.071 | 0.440 |
Rpim | 0.042 | 0.270 |
Number of reflections | 210248 | 30679 |
<I/σ(I)> | 7.6 | 2.3 |
Completeness [%] | 93.9 | 94.2 |
Redundancy | 2.3 | 2.2 |
CC(1/2) | 0.998 | 0.883 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5 | 294 | 2-2.5M sodium acetate, 0.1M sodium citrate, pH 5 |