2HUI
Crystal structure of Aedes aegypti alanine glyoxylate aminotransferase in complex with glyoxylic acid
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X25 |
Synchrotron site | NSLS |
Beamline | X25 |
Temperature [K] | 200 |
Detector technology | CCD |
Collection date | 2006-06-21 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.9795 |
Spacegroup name | H 3 |
Unit cell lengths | 137.082, 137.082, 120.425 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 29.180 - 1.750 |
R-factor | 0.176 |
Rwork | 0.175 |
R-free | 0.20600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2huf |
RMSD bond length | 0.014 |
RMSD bond angle | 1.695 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 1.810 |
High resolution limit [Å] | 1.750 | 1.750 |
Rmerge | 0.103 | 0.569 |
Number of reflections | 82608 | |
<I/σ(I)> | 6.8 | |
Completeness [%] | 97.0 | 72.1 |
Redundancy | 10.3 | 3.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 277 | 12% PEG 8000, 0.13 M magnesium acetate, 4% butanol, 0.1 M cacodylic acid, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K |