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 |
