3N6J
Crystal structure of Mandelate racemase/muconate lactonizing protein from Actinobacillus succinogenes 130Z
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 | 2010-04-15 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9791 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 90.781, 84.347, 113.475 |
| Unit cell angles | 90.00, 97.92, 90.00 |
Refinement procedure
| Resolution | 19.950 - 2.400 |
| R-factor | 0.22161 |
| Rwork | 0.217 |
| R-free | 0.30389 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ec7 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.234 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER (2.1.4) |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.440 |
| High resolution limit [Å] | 2.400 | 6.510 | 2.400 |
| Rmerge | 0.118 | 0.048 | 0.741 |
| Number of reflections | 54729 | ||
| <I/σ(I)> | 7.3 | ||
| Completeness [%] | 82.1 | 88.8 | 53.5 |
| Redundancy | 3.9 | 3.4 | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 298 | 25% PEG 1500, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
