5GN5
Crystal structure of glycerol kinase from Trypanosoma brucei gambiense complexed with cumarin derivative-17
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-1A |
| Synchrotron site | Photon Factory |
| Beamline | BL-1A |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-01-28 |
| Detector | DECTRIS PILATUS 2M-F |
| Wavelength(s) | 1.1000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 121.030, 63.205, 154.848 |
| Unit cell angles | 90.00, 90.01, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.850 |
| R-factor | 0.19881 |
| Rwork | 0.194 |
| R-free | 0.28629 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3wxi |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.865 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0103) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.850 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Rmerge | 0.042 | 0.607 |
| Number of reflections | 56927 | |
| <I/σ(I)> | 13.2 | 1.35 |
| Completeness [%] | 97.7 | 95 |
| Redundancy | 3.2 | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 298 | 20-30% PEG 400, 0.1M HEPES, 0.01M MAGNESIUM SULPHATE, 11% 1,6-HEXANEDIOL |
