9KNP
X-ray structure of Pyrococcus horikoshii OT3 alcohol dehydrogenase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2017-02-10 |
| Detector | RIGAKU RAXIS |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 68.890, 75.580, 166.500 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.497 - 1.940 |
| Rwork | 0.218 |
| R-free | 0.25260 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | An initial model was generated by PHYRE2 Server |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.284 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.500 | 1.990 |
| High resolution limit [Å] | 1.940 | 1.940 |
| Number of reflections | 63980 | 4646 |
| <I/σ(I)> | 20.3 | |
| Completeness [%] | 98.2 | |
| Redundancy | 6.8 | |
| CC(1/2) | 0.990 | 0.920 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 | 200 mM potassium phosphate, 29% w/v polyethylene glycol 3350, 3 mM NAD+, 10 mM NiCl2, 2% v/v butanol, pH 4.9 |
