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 |