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 |