5J7I
Crystal structure of a Geobacillus thermoglucosidasius Acetylating Aldehyde Dehydrogenase in complex with ADP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 293 |
Detector technology | CCD |
Collection date | 2012-01-20 |
Detector | RIGAKU SATURN 944+ |
Wavelength(s) | 1.54060 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 93.054, 109.543, 204.149 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 42.668 - 4.000 |
R-factor | 0.2322 |
Rwork | 0.230 |
R-free | 0.28250 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5j78 |
RMSD bond length | 0.006 |
RMSD bond angle | 1.235 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | REFMAC |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 4.070 |
High resolution limit [Å] | 4.000 | 4.000 |
Rmerge | 0.267 | 0.466 |
Number of reflections | 14328 | |
<I/σ(I)> | 3.87 | 2.26 |
Completeness [%] | 78.0 | 70.5 |
Redundancy | 2.5 | 2.26 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5 | 289 | protein solution containing 10.7mg/ml protein, 0.5mM acetyl-CoA and 5mM NAD+ was mixed 1:1 with 0.1M MMT buffer pH5.0, 21 to 23% PEG 1500 |