3GY1
CRYSTAL STRUCTURE OF putative mandelate racemase/muconate lactonizing protein from Clostridium beijerinckii NCIMB 8052
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 | 2009-03-24 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9791 |
| Spacegroup name | P 4 21 2 |
| Unit cell lengths | 111.313, 111.313, 141.345 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.890 - 1.600 |
| R-factor | 0.181 |
| Rwork | 0.179 |
| R-free | 0.21200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.030 |
| RMSD bond angle | 2.279 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0070) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.590 |
| High resolution limit [Å] | 1.560 | 4.230 | 1.560 |
| Rmerge | 0.138 | 0.056 | 0.757 |
| Number of reflections | 201304 | ||
| <I/σ(I)> | 12.601 | ||
| Completeness [%] | 83.2 | 99.5 | 21.3 |
| Redundancy | 4.8 | 5.8 | 1.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 298 | 30% MPD, 0.1 M Na-Cacodylate, 0.2 M magnesium acetate, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
