5AZJ
Crystal structure of glycerol kinase from Trypanosoma brucei gambiense complexed with 4NP (with disulfide bridge)
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 | 2015-06-18 |
| Detector | RAYONIX MX300HE |
| Wavelength(s) | 0.9000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 63.737, 120.031, 154.706 |
| Unit cell angles | 90.00, 90.02, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.610 |
| R-factor | 0.19876 |
| Rwork | 0.196 |
| R-free | 0.25703 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3wxl |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.351 |
| 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 | 2.640 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.098 | 0.532 |
| Number of reflections | 69743 | |
| <I/σ(I)> | 17.4 | 2.53 |
| Completeness [%] | 99.2 | 100 |
| Redundancy | 3.7 | 3.7 |
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 |
