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 |