3R31
Crystal structure of betaine aldehyde dehydrogenase from Agrobacterium tumefaciens
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X29A |
| Synchrotron site | NSLS |
| Beamline | X29A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-11-01 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9891 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 98.879, 98.879, 174.578 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 43.020 - 2.148 |
| R-factor | 0.1968 |
| Rwork | 0.194 |
| R-free | 0.24526 |
| Structure solution method | SAD |
| RMSD bond length | 0.023 |
| RMSD bond angle | 1.943 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | SHELXD |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.230 |
| High resolution limit [Å] | 2.148 | 2.148 |
| Rmerge | 0.065 | 0.490 |
| Number of reflections | 54545 | |
| <I/σ(I)> | 10.8 | 4 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 21.7 | 21 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 298 | 0.2M MgCl2, 0.1M Bis-tris pH 6.5, 25% PEG 3350, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
