2QDE
Crystal structure of mandelate racemase/muconate lactonizing family protein from Azoarcus sp. EbN1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X29A |
| Synchrotron site | NSLS |
| Beamline | X29A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-05-19 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9792 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 119.063, 114.588, 146.229 |
| Unit cell angles | 90.00, 101.45, 90.00 |
Refinement procedure
| Resolution | 46.140 - 1.930 |
| R-factor | 0.197 |
| Rwork | 0.197 |
| R-free | 0.22500 |
| Structure solution method | SAD |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.300 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | SHELXD |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.000 |
| High resolution limit [Å] | 1.930 | 1.930 |
| Rmerge | 0.060 | 0.400 |
| Number of reflections | 285427 | |
| <I/σ(I)> | 8.1 | 1 |
| Completeness [%] | 99.1 | 93.6 |
| Redundancy | 7 | 4.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 298 | 0.1M Hepes pH 7.0, 20% PEG 10000, 1.5mM BaCl2, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
