2PMQ
Crystal structure of a mandelate racemase/muconate lactonizing enzyme from Roseovarius sp. HTCC2601
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 | 2007-04-08 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.97958 |
| Spacegroup name | P 4 21 2 |
| Unit cell lengths | 136.381, 136.381, 80.925 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.720 |
| R-factor | 0.167 |
| Rwork | 0.165 |
| R-free | 0.19100 |
| Structure solution method | SAD |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.341 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | SHELXCD |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 96.436 | 1.810 |
| High resolution limit [Å] | 1.720 | 1.720 |
| Rmerge | 0.086 | 0.306 |
| Number of reflections | 81085 | |
| <I/σ(I)> | 22.2 | 6.1 |
| Completeness [%] | 98.9 | 93 |
| Redundancy | 12 | 10.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 8.5 | 294 | 100mM Tris-HCl pH 8.5, 25% PEG 3350, 200mM Magnesium chloride, VAPOR DIFFUSION, temperature 294K |
