3T4W
The crystal structure of mandelate racemase/muconate lactonizing enzyme from Sulfitobacter 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 | 2011-01-01 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.48 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 114.564, 170.176, 84.429 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.518 - 2.522 |
| R-factor | 0.1865 |
| Rwork | 0.184 |
| R-free | 0.24020 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3rcy |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.933 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.610 |
| High resolution limit [Å] | 2.520 | 2.520 |
| Rmerge | 0.119 | 0.269 |
| Number of reflections | 56175 | |
| <I/σ(I)> | 13.4 | 7.47 |
| Completeness [%] | 99.6 | 99.9 |
| Redundancy | 8.2 | 7.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 291 | 0.2 ammonium sulfate, 0.1 M Bis-Tris pH5.5, 25% PEG 3350, VAPOR DIFFUSION, SITTING DROP, temperature 291K |
