4QF6
Structure of Aldehyde Dehydrogenase from Bacillus cereus, E194S mutant
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PAL/PLS BEAMLINE 5C (4A) |
| Synchrotron site | PAL/PLS |
| Beamline | 5C (4A) |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-07-24 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97951 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 145.558, 93.655, 247.854 |
| Unit cell angles | 90.00, 95.55, 90.00 |
Refinement procedure
| Resolution | 43.560 - 1.900 |
| R-factor | 0.20658 |
| Rwork | 0.204 |
| R-free | 0.25156 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4PS9 |
| RMSD bond length | 0.022 |
| RMSD bond angle | 2.059 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASES |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.930 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Number of reflections | 442246 | |
| Completeness [%] | 84.9 | 81.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 287 | 0.15M DL-malic pH 7.0, 20% PEG 3350 , VAPOR DIFFUSION, HANGING DROP, temperature 287K |
