3SQS
Crystal Structure of a putative mandelate racemase/muconate lactonizing protein from Dinoroseobacter shibae DFL 12
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 | 2011-06-30 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.05 |
| Spacegroup name | I 4 2 2 |
| Unit cell lengths | 137.304, 137.304, 115.216 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 44.130 - 1.900 |
| R-factor | 0.187 |
| Rwork | 0.187 |
| R-free | 0.20800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2oz3 |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.300 |
| Data reduction software | HKL-2000 |
| 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 | 1.950 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.058 | 0.228 |
| Number of reflections | 43723 | |
| <I/σ(I)> | 20 | 4 |
| Completeness [%] | 99.8 | 96.8 |
| Redundancy | 26.6 | 17.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | 0.2M Lithium Sulfate, 0.1 M Tris, 25% PEG 4K, 15% glycerol, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
