5EUY
Thermostable aldehyde dehydrogenase from Pyrobaculum sp.1860 complexed with NADP+
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-1 |
Synchrotron site | ESRF |
Beamline | ID23-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2013-11-21 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.972420 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 184.770, 208.050, 165.400 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 59.057 - 2.060 |
R-factor | 0.1959 |
Rwork | 0.196 |
R-free | 0.23250 |
Starting model (for MR) | 4h73 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.058 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | BALBES |
Refinement software | PHENIX (1.8.4_1496) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 59.057 | 2.120 |
High resolution limit [Å] | 2.060 | 2.060 |
Rmerge | 0.101 | 0.770 |
Number of reflections | 387726 | |
<I/σ(I)> | 8.3 | 1.6 |
Completeness [%] | 99.3 | |
Redundancy | 3.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 0.1 M Imidazole ph 6.5, 1.0 M sodium acetate trihydrate |