5X5U
Crystal structure of alpha-ketoglutarate-semialdehyde dehydrogenase (KGSADH) complexed with NAD
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PAL/PLS BEAMLINE 7A (6B, 6C1) |
Synchrotron site | PAL/PLS |
Beamline | 7A (6B, 6C1) |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-12-23 |
Detector | ADSC QUANTUM 270 |
Wavelength(s) | 0.97934 |
Spacegroup name | P 43 2 2 |
Unit cell lengths | 129.305, 129.305, 118.360 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 33.678 - 2.300 |
R-factor | 0.165 |
Rwork | 0.162 |
R-free | 0.22740 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2w8r |
RMSD bond length | 0.017 |
RMSD bond angle | 1.860 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | HKL-2000 |
Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 129.300 | 2.340 |
High resolution limit [Å] | 2.300 | 2.300 |
Number of reflections | 40594 | |
<I/σ(I)> | 66.47 | |
Completeness [%] | 95.2 | |
Redundancy | 13.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | PEG 3350, Ammonium citrate |