5UTD
Sperm whale myoglobin V68A/I107Y with nitrite
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RUH3R |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2012-06-19 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.54178 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 34.840, 29.260, 64.060 |
| Unit cell angles | 90.00, 105.76, 90.00 |
Refinement procedure
| Resolution | 26.600 - 1.780 |
| R-factor | 0.1785 |
| Rwork | 0.175 |
| R-free | 0.24670 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.020 |
| RMSD bond angle | 2.032 |
| Data scaling software | SCALA (3.3.20) |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 61.652 | 26.581 | 1.870 |
| High resolution limit [Å] | 1.780 | 5.610 | 1.780 |
| Rmerge | 0.015 | 0.123 | |
| Rmeas | 0.056 | 0.032 | 0.183 |
| Rpim | 0.034 | 0.019 | 0.117 |
| Total number of observations | 23849 | ||
| Number of reflections | 10695 | ||
| <I/σ(I)> | 14.7 | 28.6 | 5.1 |
| Completeness [%] | 87.4 | 71.3 | 91.7 |
| Redundancy | 2.2 | 2.4 | 2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 294 | 0.1 M Tris-HCl, 1 mM EDTA, pH 7.4 2.56 M Ammonium Sulfate |
