3BCX
E1 Dehydrase
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 | 2004-08-09 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.54980 |
| Spacegroup name | P 32 |
| Unit cell lengths | 97.313, 97.313, 142.347 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 50.000 - 2.400 |
| R-factor | 0.208 |
| Rwork | 0.208 |
| R-free | 0.23100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3bb8 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.279 |
| 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 | 2.490 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.116 | 0.428 |
| Number of reflections | 60161 | |
| <I/σ(I)> | 8.8 | 3.92 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 7.2 | 7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | ANAEROBIC | 7.6 | 298 | 0.1M Hepes, 1M Ammonium sulfate, 2% PEG 400, 2% Benzamidine HCl, pH 7.6, ANAEROBIC, temperature 298K |
