5J78
Crystal structure of an Acetylating Aldehyde Dehydrogenase from Geobacillus thermoglucosidasius
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04 |
Synchrotron site | Diamond |
Beamline | I04 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-10-08 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97949 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 98.579, 109.120, 196.243 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.289 - 2.100 |
R-factor | 0.1459 |
Rwork | 0.143 |
R-free | 0.19620 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3k9d |
RMSD bond length | 0.010 |
RMSD bond angle | 1.142 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | BALBES |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.140 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.136 | 0.684 |
Number of reflections | 123787 | |
<I/σ(I)> | 15.4 | 2.23 |
Completeness [%] | 99.9 | 98.9 |
Redundancy | 7.1 | 5.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.8 | 289 | 0.1M sodium acetate pH 4.8, 0.2M MgCl2, 15% (v/v) PEG1500 |