5MZ5
Crystal structure of aldehyde dehydrogenase 21 (ALDH21) from Physcomitrella patens in its apoform
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SOLEIL BEAMLINE PROXIMA 1 |
| Synchrotron site | SOLEIL |
| Beamline | PROXIMA 1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-07-04 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 91.802, 151.793, 158.518 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.200 - 2.150 |
| R-factor | 0.186 |
| Rwork | 0.184 |
| R-free | 0.21000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2w8q |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.110 |
| 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 | 2.270 |
| High resolution limit [Å] | 2.150 | 2.150 |
| Number of reflections | 120186 | |
| <I/σ(I)> | 10.46 | 1.36 |
| Completeness [%] | 98.6 | 91.2 |
| Redundancy | 6.41 | 3.24 |
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: 30 % (w/v) PEG 2000-MME |
