6E03
sperm whale myoglobin nitrosoethane adduct
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-12-19 |
| Detector | DECTRIS PILATUS 200K |
| Wavelength(s) | 1.54178 |
| Spacegroup name | P 6 |
| Unit cell lengths | 90.272, 90.272, 45.316 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 45.140 - 1.760 |
| R-factor | 0.16134 |
| Rwork | 0.160 |
| R-free | 0.19081 |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.789 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | HKL-3000 |
| Refinement software | REFMAC (5.8.0222) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.140 | 1.790 |
| High resolution limit [Å] | 1.760 | 1.760 |
| Number of reflections | 20356 | |
| <I/σ(I)> | 16.23 | |
| Completeness [%] | 96.4 | |
| Redundancy | 7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 298 | 2.56-3.20 M AS, 100 mM Tris-HCl, 1 mm EDTA, pH 7.4 or 9.0. |
