4QET
Structure of Aldehyde Dehydrogenase from Bacillus cereus, G224D 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 | 2013-04-11 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97954 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 83.139, 93.099, 145.085 |
| Unit cell angles | 90.00, 97.87, 90.00 |
Refinement procedure
| Resolution | 19.640 - 2.600 |
| R-factor | 0.17345 |
| Rwork | 0.171 |
| R-free | 0.22669 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4PS9 |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.839 |
| 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 | 2.640 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Number of reflections | 67491 | |
| Completeness [%] | 99.8 | 99.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 287 | 0.15M DL-malic acid pH 7.0, 18% PEG 3350 , VAPOR DIFFUSION, HANGING DROP, temperature 287K |
