6FKV
Structure and function of aldehyde dehydrogenase from Thermus thermophilus: An enzyme with an evolutionarily-distinct C-terminal arm (Recombinant protein with shortened C-terminal, ADH508)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I02 |
Synchrotron site | Diamond |
Beamline | I02 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-05-17 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.9795 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 105.190, 105.190, 314.570 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.040 - 2.900 |
R-factor | 0.19192 |
Rwork | 0.190 |
R-free | 0.22864 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4wj9 |
RMSD bond length | 0.009 |
RMSD bond angle | 1.520 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0222) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 99.720 | 2.316 |
High resolution limit [Å] | 2.230 | 2.230 |
Rmeas | 0.360 | |
Rpim | 0.130 | |
Number of reflections | 39303 | 3904 |
<I/σ(I)> | 4.41 | |
Completeness [%] | 86.8 | |
Redundancy | 6.4 | |
CC(1/2) | 0.980 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293.15 | 50 mM MOPS pH 7.5, 1.2 M ammonium sulfate |