3N4F
CRYSTAL STRUCTURE OF Mandelate racemase/muconate lactonizing protein from Geobacillus sp. Y412MC10
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 | 2010-04-29 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.9791 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 155.387, 66.100, 151.536 |
Unit cell angles | 90.00, 94.33, 90.00 |
Refinement procedure
Resolution | 8.000 - 1.880 |
R-factor | 0.18822 |
Rwork | 0.185 |
R-free | 0.24207 |
Structure solution method | SAD |
RMSD bond length | 0.010 |
RMSD bond angle | 1.213 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHENIX |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.910 |
High resolution limit [Å] | 1.880 | 5.100 | 1.880 |
Rmerge | 0.128 | 0.052 | 0.799 |
Number of reflections | 227793 | ||
<I/σ(I)> | 7.1 | ||
Completeness [%] | 93.1 | 99.3 | 86.2 |
Redundancy | 2.8 | 2.9 | 2.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 298 | 0.2 M Mg chloride, 0.1 M Tris-HCl, 25% PEG 3350, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K |