2WME
Crystallographic structure of betaine aldehyde dehydrogenase from Pseudomonas aeruginosa
Replaces: 2VE5Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X6A |
| Synchrotron site | NSLS |
| Beamline | X6A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-04-11 |
| Detector | ADSC CCD |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 334.947, 133.011, 101.814 |
| Unit cell angles | 90.00, 94.94, 90.00 |
Refinement procedure
| Resolution | 42.680 - 2.100 |
| R-factor | 0.16876 |
| Rwork | 0.166 |
| R-free | 0.21123 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1a4s |
| RMSD bond length | 0.020 |
| RMSD bond angle | 1.703 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.300 | 2.100 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.080 | 0.450 |
| Number of reflections | 277775 | |
| <I/σ(I)> | 8.2 | 1.6 |
| Completeness [%] | 93.0 | 79.3 |
| Redundancy | 3.2 | 2.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | CRYSTALS WERE GROWN IN 85 MM HEPES, PH 7.5, 8.5 % (V:V) ISOPROPANOL, 17 % PEG 4000 AND 1 MM NADP |
