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 |
