3CYJ
Crystal structure of a mandelate racemase/muconate lactonizing enzyme-like protein from Rubrobacter xylanophilus
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 31-ID |
| Synchrotron site | APS |
| Beamline | 31-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-04-11 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.97958 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 193.100, 193.100, 113.483 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.300 |
| R-factor | 0.245 |
| Rwork | 0.243 |
| R-free | 0.29200 |
| Structure solution method | SAD |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.676 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA (3.2.25) |
| Phasing software | SHELXCD |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.280 | 2.420 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.160 | 0.431 |
| Number of reflections | 93498 | |
| <I/σ(I)> | 8.5 | 3.5 |
| Completeness [%] | 98.4 | 98.3 |
| Redundancy | 10.4 | 10.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 6.5 | 294 | 100mM Bis-Tris pH 6.5, 1.4M Ammonium phosphate, VAPOR DIFFUSION, temperature 294K |
