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 |