4P92
Crystal structure of dienelactone hydrolase C123S mutant at 1.65 A resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SEALED TUBE |
| Source details | OTHER |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2012-05-22 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 48.230, 70.980, 77.460 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 77.460 - 1.650 |
| R-factor | 0.15841 |
| Rwork | 0.158 |
| R-free | 0.17210 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1zi6 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.090 |
| Data reduction software | XDS |
| Data scaling software | SCALEPACK |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 77.460 | 1.700 |
| High resolution limit [Å] | 1.650 | 1.650 |
| Number of reflections | 31176 | |
| <I/σ(I)> | 50.57 | |
| Completeness [%] | 95.6 | 91 |
| Redundancy | 7.23 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.8 | 277 | Ammonium sulfate, sodium citrate |
