5AZI
Crystal structure of glycerol kinase from Trypanosoma brucei gambiense complexed with 4NP
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 | CCD |
| Collection date | 2015-07-14 |
| Detector | RAYONIX MX300HE |
| Wavelength(s) | 0.9000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 63.669, 120.253, 154.593 |
| Unit cell angles | 90.00, 89.96, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.450 |
| R-factor | 0.19872 |
| Rwork | 0.196 |
| R-free | 0.25990 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3wxl |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.346 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.490 |
| High resolution limit [Å] | 2.450 | 2.450 |
| Rmerge | 0.049 | 0.768 |
| Number of reflections | 86170 | |
| <I/σ(I)> | 13.9 | 1.29 |
| Completeness [%] | 98.2 | 95.5 |
| Redundancy | 3.3 | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 20-30% PEG 400, 0.1M HEPES, 0.01M MAGNESIUM SULPHATE, 11% 1,6-HEXANEDIOL |
