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 |
