3SSZ
The crystal structure of Mandelate racemase/muconate lactonizing enzyme from Rhodobacteraceae bacterium
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X25 |
| Synchrotron site | NSLS |
| Beamline | X25 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2011-06-22 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.1 |
| Spacegroup name | I 4 2 2 |
| Unit cell lengths | 136.777, 136.777, 116.283 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.358 - 2.392 |
| R-factor | 0.186 |
| Rwork | 0.183 |
| R-free | 0.23520 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3fxg |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.100 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.7.1_743)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.480 |
| High resolution limit [Å] | 2.390 | 2.390 |
| Rmerge | 0.160 | 0.357 |
| Number of reflections | 22070 | |
| <I/σ(I)> | 24.5 | 17.5 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 25.1 | 20.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 291 | 0.1 M Bis-Tris pH 5.5, 2.0 Ammonium sulfate, VAPOR DIFFUSION, SITTING DROP, temperature 291K |
