3H57
Myoglobin Cavity Mutant H64LV68N 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 | 2008-08-21 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 6 |
| Unit cell lengths | 90.320, 90.320, 45.230 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 45.160 - 1.700 |
| Rwork | 0.214 |
| R-free | 0.23300 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 2mgl |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.400 |
| Data reduction software | CrystalClear |
| Data scaling software | d*TREK |
| Phasing software | CNS |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.160 | 1.600 |
| High resolution limit [Å] | 1.540 | 1.540 |
| Rmerge | 0.040 | 0.118 |
| Total number of observations | 715 | |
| Number of reflections | 24865 | |
| <I/σ(I)> | 23.8 | 3.9 |
| Completeness [%] | 79.6 | 18.2 |
| Redundancy | 3.9 | 1.26 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Batch Method | 9 | 293 | Protein Solution (20mg/ml protein in 0.02M Tris.HCl pH9.0) mixed with mother liquor (3.2M Ammonium Sulphate, 0.05M Tris.HCl, pH9.0) for final concentrations of 2.5M Ammonium Sulphate, Batch Method, temperature 293K |
