5K6A
Trypanosoma brucei Pteridine reductase 1 (PTR1) in complex with compound 1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ELETTRA BEAMLINE 5.2R |
| Synchrotron site | ELETTRA |
| Beamline | 5.2R |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-08-05 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 0.999 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 74.720, 89.894, 82.684 |
| Unit cell angles | 90.00, 115.75, 90.00 |
Refinement procedure
| Resolution | 74.470 - 1.700 |
| R-factor | 0.18154 |
| Rwork | 0.180 |
| R-free | 0.21970 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3gn1 |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.883 |
| Data reduction software | iMOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0151) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 74.470 | 1.742 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.085 | 0.322 |
| Number of reflections | 95660 | |
| <I/σ(I)> | 6.7 | 1.8 |
| Completeness [%] | 92.7 | 93.5 |
| Redundancy | 2.3 | 2.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 298 | Protein solution: 6 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 |
