5N5S
Crystal structure of aldehyde dehydrogenase 21 (ALDH21) from Physcomitrella patens in complex with NADP+
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 | 2017-05-18 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9786 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 89.380, 165.280, 138.380 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.130 - 2.300 |
R-factor | 0.185 |
Rwork | 0.183 |
R-free | 0.20700 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5mz5 |
RMSD bond length | 0.009 |
RMSD bond angle | 1.100 |
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] | 50.000 | 2.430 |
High resolution limit [Å] | 2.300 | 2.300 |
Number of reflections | 91956 | 14371 |
<I/σ(I)> | 15.1 | 1 |
Completeness [%] | 99.5 | 97.6 |
Redundancy | 12.9 | 12.8 |
CC(1/2) | 0.999 | 0.772 |
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, 1 mM NADP+; precipitant solution: 35% (w/v) PEG 2000-MME |