3BB8
E1 Dehydrase H220K Mutant
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-1 |
| Synchrotron site | SSRL |
| Beamline | BL9-1 |
| Temperature [K] | 77 |
| Detector technology | CCD |
| Collection date | 2006-06-30 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 32 |
| Unit cell lengths | 98.180, 98.180, 140.390 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 50.000 - 2.350 |
| R-factor | 0.219 |
| Rwork | 0.219 |
| R-free | 0.25000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.307 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.430 |
| High resolution limit [Å] | 2.350 | 2.350 |
| Rmerge | 0.063 | 0.525 |
| Number of reflections | 63011 | |
| <I/σ(I)> | 11.3 | 3.33 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 5.6 | 5.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.6 | 298 | 0.1 M Hepes, 1 M ammonium sulfate, 2% PEG 400, 2% benzamidine HCl, pH 7.6, vapor diffusion, sitting drop, temperature 298K |
