1ZI9
Crystal Structure Analysis of the dienelactone hydrolase (E36D, C123S) mutant- 1.5 A
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 14-BM-D |
| Synchrotron site | APS |
| Beamline | 14-BM-D |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2002-07-13 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.2915 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 48.411, 70.912, 76.930 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 33.810 - 1.500 |
| R-factor | 0.173 |
| Rwork | 0.173 |
| R-free | 0.19800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1din |
| RMSD bond length | 0.026 |
| RMSD bond angle | 2.200 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 33.810 | 1.590 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.049 | 0.171 |
| Number of reflections | 79229 | |
| <I/σ(I)> | 22.1 | |
| Completeness [%] | 98.2 | 99.4 |
| Redundancy | 6.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 277 | 0.1M Sodium Citrate buffer, 1.2M Ammonium Sulfate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
