5JCX
Trypanosoma brucei PTR1 in complex with inhibitor NP-29
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 | 2014-02-03 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 74.680, 89.730, 82.840 |
| Unit cell angles | 90.00, 115.71, 90.00 |
Refinement procedure
| Resolution | 37.330 - 1.430 |
| R-factor | 0.14604 |
| Rwork | 0.144 |
| R-free | 0.17953 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2x9g |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.418 |
| Data reduction software | iMOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 41.770 | 1.510 |
| High resolution limit [Å] | 1.430 | 1.430 |
| Rmerge | 0.044 | 0.357 |
| Number of reflections | 171130 | |
| <I/σ(I)> | 9.2 | 2 |
| Completeness [%] | 94.5 | 94.2 |
| Redundancy | 2.2 | 2.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | Protein solution: 8 g/L in 20 mM Tris-HCl pH 7.5, 10 mM DTT; crystallization buffer: 0.1 M sodium citrate pH 5, 2.25 M sodium acetate |
