3N6H
Crystal structure of Mandelate racemase/muconate lactonizing protein from Actinobacillus succinogenes 130Z complexed with magnesium/sulfate
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 | 2010-04-29 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9791 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 97.397, 85.884, 112.424 |
| Unit cell angles | 90.00, 96.03, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.300 |
| R-factor | 0.22064 |
| Rwork | 0.219 |
| R-free | 0.27751 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ec7 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.079 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER (2.1.4) |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 2.340 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.108 | 0.523 |
| Number of reflections | 69760 | |
| <I/σ(I)> | 4 | |
| Completeness [%] | 95.5 | 74.6 |
| Redundancy | 2.1 | 2.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 298 | 0.1 M HEPES, 25% PEG 3350, 0.2 M Lithium sulfate, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
