5EKC
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 2 21 21 |
Unit cell lengths | 164.550, 185.210, 208.290 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.646 - 1.895 |
R-factor | 0.1944 |
Rwork | 0.193 |
R-free | 0.22060 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4h73 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.017 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | BALBES |
Refinement software | PHENIX (1.8.4_1496) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 49.646 | 1.920 |
High resolution limit [Å] | 1.895 | 1.895 |
Rmerge | 0.097 | 0.754 |
Number of reflections | 492441 | |
<I/σ(I)> | 27.3 | 2.8 |
Completeness [%] | 98.5 | 83 |
Redundancy | 13.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | HEPES 0.05 M, pH=7.5 NaCl 0.05 M |