5EXF
Thermostable aldehyde dehydrogenase from Pyrobaculum sp.1860 complexed with NADP+
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL41XU |
Synchrotron site | SPring-8 |
Beamline | BL41XU |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2014-06-16 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.0 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 185.590, 208.720, 164.850 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 90.965 - 2.190 |
R-factor | 0.2083 |
Rwork | 0.206 |
R-free | 0.24470 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4h73 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.071 |
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] | 92.800 | 2.230 |
High resolution limit [Å] | 2.190 | 2.190 |
Rmerge | 0.188 | 0.726 |
Number of reflections | 326817 | |
<I/σ(I)> | 5.3 | 1.7 |
Completeness [%] | 98.2 | 97.9 |
Redundancy | 4.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 0.1M Imidazole ph 6.5, 1.2 M soduim acetate trihydrate |