5GN6
Crystal structure of glycerol kinase from Trypanosoma brucei gambiense complexed with cumarin derivative-17b
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL44XU |
| Synchrotron site | SPring-8 |
| Beamline | BL44XU |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2014-10-14 |
| Detector | MAR scanner 300 mm plate |
| Wavelength(s) | 0.9000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 62.424, 122.040, 154.735 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.500 |
| R-factor | 0.19797 |
| Rwork | 0.195 |
| R-free | 0.26049 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3wxi |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.693 |
| 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 | 2.540 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.042 | 0.463 |
| Number of reflections | 80045 | |
| <I/σ(I)> | 14.7 | 2.31 |
| Completeness [%] | 99.1 | 98.9 |
| Redundancy | 3.6 | 3.4 |
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 |
