3OGB
Sperm whale myoglobin mutant H64W deoxy-form
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RUH3R |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2010-07-23 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 38.830, 47.130, 88.930 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 23.565 - 1.600 |
R-factor | 0.1809 |
Rwork | 0.180 |
R-free | 0.20260 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 3nml |
RMSD bond length | 0.006 |
RMSD bond angle | 1.088 |
Data reduction software | d*TREK |
Data scaling software | d*TREK |
Phasing software | CNS |
Refinement software | PHENIX (1.6.2_432) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 23.570 | 23.570 | 1.660 |
High resolution limit [Å] | 1.600 | 3.440 | 1.600 |
Rmerge | 0.043 | 0.027 | 0.263 |
Total number of observations | 2348 | 1988 | |
Number of reflections | 21466 | ||
<I/σ(I)> | 15.5 | 45.9 | 4.1 |
Completeness [%] | 96.6 | 98.4 | 91 |
Redundancy | 3.65 | 3.75 | 3.66 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | SMALL TUBES | 9 | 293 | Solution of MB (carbonmonoxy-form) (20mg/ml protein in 0.02M TRIS-HCl pH 9.0) mixed with mother liquor (3.2M ammonium sulphate, 0.05M TRIS-HCl, pH 9.0) for final concentrations of 2.5M ammonium sulphate to obtain crystals of MBCO. MBCO crystals were oxidyzed by excess of potassium ferricyanide, washed in mother liquor and reduced under anaerobic conditions with sodium dithionite, SMALL TUBES, temperature 293K |