8S33
Malic semialdehyde dehydrogenase (MSA-DH) from Acinetobacter baumannii
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PETRA III, DESY BEAMLINE P11 |
Synchrotron site | PETRA III, DESY |
Beamline | P11 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2023-07-13 |
Detector | DECTRIS EIGER2 X 16M |
Wavelength(s) | 1.03322 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 115.966, 194.288, 454.336 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.800 - 2.590 |
R-factor | 0.1812 |
Rwork | 0.180 |
R-free | 0.20740 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.002 |
RMSD bond angle | 0.459 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.20.1-4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 19.800 | 2.730 |
High resolution limit [Å] | 2.590 | 2.590 |
Rmerge | 0.150 | 1.256 |
Rmeas | 0.156 | 1.311 |
Rpim | 0.044 | 0.372 |
Total number of observations | 3968854 | 560339 |
Number of reflections | 316761 | 46011 |
<I/σ(I)> | 10.7 | 2.4 |
Completeness [%] | 99.5 | |
Redundancy | 12.5 | 12.2 |
CC(1/2) | 0.998 | 0.887 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 7.3 | 298 | Jena Bioscience Pi-PEG screen condition G8: 34.3 % (w/v) PEG 550 monomethyl ether, 2.9 % (w/v) PEG 300, 50 mM HEPES/NaOH pH 7.3 Additive: 7 mM D-malate |