2QQ6
Crystal structure of mandelate racemase/muconate lactonizing enzyme-like protein from Rubrobacter xylanophilus DSM 9941
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X12C |
Synchrotron site | NSLS |
Beamline | X12C |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-06-27 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 0.97950 |
Spacegroup name | I 41 2 2 |
Unit cell lengths | 184.369, 184.369, 118.108 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 - 2.900 |
R-factor | 0.2218 |
Rwork | 0.222 |
R-free | 0.28230 |
Structure solution method | SAD |
RMSD bond length | 0.009 |
RMSD bond angle | 1.500 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | SOLVE |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 3.000 |
High resolution limit [Å] | 2.900 | 2.900 |
Rmerge | 0.139 | 0.593 |
Number of reflections | 22832 | |
<I/σ(I)> | 6.1 | |
Completeness [%] | 99.8 | 98.2 |
Redundancy | 27.8 | 21.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 30% PEG 400, 0.1M HEPES, 0.2M Magnesium chloride, 30% Dioxane, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |