3MYC
Crystal Structure of HP67 H41F - P212121
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU300 |
| Temperature [K] | 200 |
| Detector technology | IMAGE PLATE |
| Collection date | 2010-03-19 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 31.404, 37.107, 54.791 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 13.982 - 1.700 |
| R-factor | 0.1847 |
| Rwork | 0.181 |
| R-free | 0.21650 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.872 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((phenix.refine: 1.6_289)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 13.982 | 1.831 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Number of reflections | 6978 | |
| Completeness [%] | 93.8 | 91 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 0.2 M Ammonium Sulfate, 0.1 M 2-Morphinoethanesulfonic acid, 30% Polyethyleneglycol 8,000, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
