3GO2
Crystal structure of putative L-alanine-DL-glutamate epimerase from Burkholderia xenovorans strain LB400 bound to magnesium
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 31-ID |
Synchrotron site | APS |
Beamline | 31-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-12-18 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 0.97958 |
Spacegroup name | I 4 2 2 |
Unit cell lengths | 104.697, 104.697, 145.828 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 1.700 |
R-factor | 0.153 |
Rwork | 0.152 |
R-free | 0.18500 |
Structure solution method | SAD |
RMSD bond length | 0.013 |
RMSD bond angle | 1.333 |
Data reduction software | HKL-2000 |
Data scaling software | SCALA (3.2.25) |
Phasing software | SHELXCD |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 85.126 | 1.790 |
High resolution limit [Å] | 1.700 | 1.700 |
Rmerge | 0.058 | 0.251 |
Number of reflections | 44736 | |
<I/σ(I)> | 26 | 6.8 |
Completeness [%] | 99.8 | 99 |
Redundancy | 9 | 8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 4.8 | 294 | 100mM Sodium acetate pH 4.8, 2.4M Sodium formate, VAPOR DIFFUSION, temperature 294K |