7KQV
Crystal Structure of aldehyde dehydrogenase (ChALDH) from Cladosporium herbarum
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-07-10 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.979 |
Spacegroup name | I 4 |
Unit cell lengths | 157.180, 157.180, 164.620 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.700 - 3.180 |
R-factor | 0.2356 |
Rwork | 0.233 |
R-free | 0.28100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5fhz |
RMSD bond length | 0.011 |
RMSD bond angle | 1.353 |
Data scaling software | HKL-3000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.14_3260) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 3.240 |
High resolution limit [Å] | 3.180 | 3.190 |
Rmeas | 0.203 | |
Rpim | 0.082 | |
Number of reflections | 33530 | 1643 |
<I/σ(I)> | 15.9 | 2.05 |
Completeness [%] | 100.0 | 100 |
Redundancy | 2.9 | |
CC(1/2) | 0.842 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.2 | 277 | 20% PEG 100, 100 mM sodium/potassium phosphate, pH 6.2, 200 mM NaCl |