4H73
Thermostable aldehyde dehydrogenase from Pyrobaculum sp. 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 | CCD |
| Collection date | 2011-05-20 |
| Detector | RAYONIX MX225HE |
| Wavelength(s) | 0.98150 |
| Spacegroup name | P 2 21 21 |
| Unit cell lengths | 164.210, 183.770, 206.470 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.625 - 2.400 |
| R-factor | 0.2146 |
| Rwork | 0.212 |
| R-free | 0.26050 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.265 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | BALBES |
| Refinement software | PHENIX ((phenix.refine: 1.7.2_869)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 164.210 | 2.540 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.136 | 0.813 |
| Number of reflections | 228986 | |
| <I/σ(I)> | 8.36 | 1.64 |
| Completeness [%] | 94.0 | 94.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293 | 0.01 M Nickel(II) chloride hexahydrate, 0.1 M Tris pH 8.5, 1.0 M Lithium sulfate monohydrate, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
