3NO1
Crystal Structure of Mandelate racemase/muconate lactonizing enzyme from a Marine actinobacterium in complex with magnesium
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 | 2010-06-18 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9792 |
| Spacegroup name | P 1 |
| Unit cell lengths | 84.961, 90.103, 94.660 |
| Unit cell angles | 115.80, 109.75, 97.58 |
Refinement procedure
| Resolution | 42.510 - 2.160 |
| R-factor | 0.207 |
| Rwork | 0.207 |
| R-free | 0.24000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDB ID: 3MSY |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.400 |
| Data reduction software | DENZO |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.240 |
| High resolution limit [Å] | 2.160 | 2.160 |
| Rmerge | 0.084 | |
| Number of reflections | 117788 | |
| <I/σ(I)> | 19.1 | 10.8 |
| Completeness [%] | 98.1 | 96.6 |
| Redundancy | 0.9 | 3.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 292 | 0.2M Magnesium Chloride 0.1M Hepes pH 7.5, 20% PEG 3350, 0.025M ethylenediamine-tetraacetic disodium salt, VAPOR DIFFUSION, SITTING DROP, temperature 292K |
