3RCY
CRYSTAL STRUCTURE OF Mandelate racemase/muconate lactonizing enzyme-like protein from Roseovarius sp. TM1035
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 | 2011-03-04 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.072 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 144.978, 162.143, 141.954 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.994 |
| R-factor | 0.14856 |
| Rwork | 0.147 |
| R-free | 0.18090 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2ox4 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.114 |
| Data reduction software | HKL-3000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.020 |
| High resolution limit [Å] | 1.990 | 5.400 | 1.990 |
| Rmerge | 0.160 | 0.069 | 0.750 |
| Number of reflections | 226795 | ||
| <I/σ(I)> | 6.7 | ||
| Completeness [%] | 99.5 | 99.9 | 89.2 |
| Redundancy | 7.4 | 7.1 | 7.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 | VAPOR DIFFUSION, SITTING DROP, temperature 298K |
