6RX0
Trypanosoma brucei PTR1 (TbPTR1) in complex with inhibitor 3 (NMT-C0013)
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 | 74.854, 90.502, 82.951 |
Unit cell angles | 90.00, 115.77, 90.00 |
Refinement procedure
Resolution | 57.610 - 1.200 |
R-factor | 0.12885 |
Rwork | 0.128 |
R-free | 0.15245 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5jdc |
RMSD bond length | 0.011 |
RMSD bond angle | 1.605 |
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] | 57.610 | 1.260 |
High resolution limit [Å] | 1.200 | 1.200 |
Rmerge | 0.045 | 0.350 |
Rmeas | 0.054 | 0.435 |
Rpim | 0.030 | 0.254 |
Number of reflections | 280144 | 40533 |
<I/σ(I)> | 10.6 | 2.5 |
Completeness [%] | 90.5 | 89.8 |
Redundancy | 2.6 | 2.5 |
CC(1/2) | 0.999 | 0.867 |
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 |