8FDJ
Wild-Type Sperm Whale Myoglobin in Complex with Nitrosobenzene
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-11-21 |
| Detector | DECTRIS PILATUS 300K |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 34.529, 30.049, 64.622 |
| Unit cell angles | 90.00, 104.55, 90.00 |
Refinement procedure
| Resolution | 33.440 - 1.750 |
| R-factor | 0.23098 |
| Rwork | 0.229 |
| R-free | 0.27612 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2mbw |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.578 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0222) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.780 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Rmerge | 0.036 | 0.347 |
| Number of reflections | 13162 | 632 |
| <I/σ(I)> | 29.1 | |
| Completeness [%] | 99.7 | |
| Redundancy | 3.1 | |
| CC(1/2) | 0.900 | 0.900 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.4 | 298 | 2.56 M ammonium sulfate, 100 mM Tris-HCl, 1 mM EDTA |
