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 |
