5IKS
Wild-type sperm whale myoglobin with a Fe-phenyl moiety
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-07-24 |
| Detector | DECTRIS PILATUS 200K |
| Wavelength(s) | 1.54178 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 34.484, 30.152, 64.463 |
| Unit cell angles | 90.00, 105.16, 90.00 |
Refinement procedure
| Resolution | 33.280 - 1.870 |
| R-factor | 0.2156 |
| Rwork | 0.213 |
| R-free | 0.27810 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2mbw |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.631 |
| Data reduction software | HKL-3000 (3000) |
| Data scaling software | HKL-3000 (3000) |
| Phasing software | HKL-3000 (3000) |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.900 |
| High resolution limit [Å] | 1.870 | 5.070 | 1.870 |
| Rmerge | 0.032 | 0.030 | 0.309 |
| Number of reflections | 10468 | ||
| <I/σ(I)> | 18.7 | ||
| Completeness [%] | 97.1 | 100 | 92.2 |
| Redundancy | 3.6 | 3.5 | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.4 | 293 | 0.1 M Tris-HCl, pH 7.4, 1mM EDTA, 2.5 M Ammonium Sulfate |
