5MZ8
Crystal structure of aldehyde dehydrogenase 21 (ALDH21) from Physcomitrella patens in complex with the reaction product succinate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SOLEIL BEAMLINE PROXIMA 2 |
Synchrotron site | SOLEIL |
Beamline | PROXIMA 2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-12-18 |
Detector | DECTRIS EIGER X 9M |
Wavelength(s) | 0.980 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 91.580, 151.810, 159.100 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.070 - 2.200 |
R-factor | 0.189 |
Rwork | 0.188 |
R-free | 0.22000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2w8q |
RMSD bond length | 0.009 |
RMSD bond angle | 1.120 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | BUSTER (2.10.2) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 55.000 | 2.330 |
High resolution limit [Å] | 2.200 | 2.200 |
Number of reflections | 112964 | |
<I/σ(I)> | 6.9 | 1.32 |
Completeness [%] | 100.0 | 99.8 |
Redundancy | 9.64 | 9.82 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | protein buffer: 20 mM Tris-HCl buffer, pH 8.0, 100 mM NaCl and 2% (w/v) glycerol; precipitant solution: 29 % (w/v) PEG 2000-MME, soak with 20 mM sodium succinate for 1 hour |