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 |