4FN4
short-chain NAD(H)-dependent dehydrogenase/reductase from Sulfolobus acidocaldarius
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-02-24 |
| Detector | RIGAKU SATURN 944 |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 83.800, 60.480, 107.080 |
| Unit cell angles | 90.00, 99.78, 90.00 |
Refinement procedure
| Resolution | 40.000 - 1.750 |
| R-factor | 0.168 |
| Rwork | 0.168 |
| R-free | 0.19100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2hq1 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.400 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | AMoRE |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 1.810 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Rmerge | 0.065 | 0.356 |
| Number of reflections | 101794 | |
| Completeness [%] | 95.0 | 98 |
| Redundancy | 4.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 2.0M ammonium sulfate, 0.1M HEPES buffer (pH 7.5) , VAPOR DIFFUSION, HANGING DROP, temperature 293K |
