3KHU
Crystal structure of human UDP-glucose dehydrogenase Glu161Gln, in complex with thiohemiacetal intermediate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-07-15 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.9763 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 203.540, 207.340, 93.400 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.740 - 2.300 |
R-factor | 0.19544 |
Rwork | 0.195 |
R-free | 0.22520 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2q3e |
RMSD bond length | 0.016 |
RMSD bond angle | 1.438 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0089) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.740 | 2.420 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.106 | 0.743 |
Number of reflections | 175139 | |
<I/σ(I)> | 9.4 | 2 |
Completeness [%] | 99.8 | 100 |
Redundancy | 4.3 | 4.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 277.15 | 18% PEG smears (PEG 400, 600, 1000, 2000, 3350, 4000, 5000 MME, 6000, 8000, 10000), 0.1M HEPES pH 7.5, 5% Ethylene glycol, VAPOR DIFFUSION, SITTING DROP, temperature 277.15K |