3MSY
Crystal Structure of Mandelate racemase/muconate lactonizing enzyme from a Marine actinobacterium
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 | 2010-04-22 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9792 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 92.003, 103.393, 234.641 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.310 - 2.500 |
| R-factor | 0.238 |
| Rwork | 0.238 |
| R-free | 0.26800 |
| Structure solution method | SAD |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.400 |
| Data reduction software | DENZO |
| Data scaling software | HKL-2000 |
| Phasing software | SHELXCD |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.300 |
| High resolution limit [Å] | 2.220 | 2.220 |
| Number of reflections | 110449 | |
| <I/σ(I)> | 5.5 | 4 |
| Completeness [%] | 100.0 | 99.7 |
| Redundancy | 12.4 | 8.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 292 | 0.2M Lithium Sulphate 100mM Hepes buffer(7.5pH) 20% PEG 3,350 8% ethylene glycol , VAPOR DIFFUSION, SITTING DROP, temperature 292K |
