4WCF
Trypanosoma brucei PTR1 in complex with inhibitor 9
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE BM30A |
Synchrotron site | ESRF |
Beamline | BM30A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-04-14 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97968 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 74.728, 90.206, 82.779 |
Unit cell angles | 90.00, 115.74, 90.00 |
Refinement procedure
Resolution | 45.100 - 1.930 |
R-factor | 0.19545 |
Rwork | 0.194 |
R-free | 0.23158 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2x9g |
RMSD bond length | 0.015 |
RMSD bond angle | 1.716 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0069) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.100 | 2.030 |
High resolution limit [Å] | 1.930 | 1.930 |
Rmerge | 0.066 | 0.422 |
Number of reflections | 74387 | |
<I/σ(I)> | 12.4 | 3.1 |
Completeness [%] | 100.0 | 100 |
Redundancy | 3.6 | 3.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 298 | 0.1 M SODIUM CITRATE PH 5, 1.5-2.5 M SODIUM ACETATE, 0.01 M DTT. |