4JHM
Crystal structure of a putative mandelate racemase/muconate lactonizing enzyme from Pseudovibrio sp.
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 | 2011-06-16 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.978 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 201.793, 117.313, 143.127 |
| Unit cell angles | 90.00, 99.77, 90.00 |
Refinement procedure
| Resolution | 39.410 - 2.800 |
| R-factor | 0.1971 |
| Rwork | 0.194 |
| R-free | 0.25300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3sjn |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.830 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA (3.3.20) |
| Phasing software | MOLREP |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 55.536 | 55.536 | 2.950 |
| High resolution limit [Å] | 2.800 | 8.850 | 2.800 |
| Rmerge | 0.053 | 0.075 | 0.379 |
| Total number of observations | 10306 | 36558 | |
| Number of reflections | 77549 | ||
| <I/σ(I)> | 8.8 | 8.6 | 2 |
| Completeness [%] | 96.0 | 96.1 | 92.5 |
| Redundancy | 3.7 | 4.1 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 298 | 30% PEG 8000, 100mM Imidazole/Hydrochloric acid pH 8.0, 200mM sodium chloride, Vapor diffusion, Sitting drop, temperature 298K |
