5ILP
H64Q sperm whale myoglobin with a Fe-tolyl moiety
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-04-02 |
| Detector | DECTRIS PILATUS 200K |
| Wavelength(s) | 1.54178 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 34.261, 30.334, 64.370 |
| Unit cell angles | 90.00, 105.27, 90.00 |
Refinement procedure
| Resolution | 33.000 - 1.880 |
| R-factor | 0.1525 |
| Rwork | 0.150 |
| R-free | 0.19930 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2mbw |
| RMSD bond length | 0.019 |
| RMSD bond angle | 2.036 |
| Data reduction software | HKL-3000 |
| Phasing software | HKL-3000 |
| Refinement software | REFMAC (5.8.0131) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.910 |
| High resolution limit [Å] | 1.880 | 5.100 | 1.880 |
| Rmerge | 0.036 | 0.025 | 0.119 |
| Rmeas | 0.042 | ||
| Rpim | 0.021 | ||
| Total number of observations | 39773 | ||
| Number of reflections | 10620 | ||
| <I/σ(I)> | 16.3 | ||
| Completeness [%] | 99.8 | 99.5 | 99.1 |
| Redundancy | 3.7 | 3.3 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.4 | 293 | 100 mM Tris-Hcl pH7.4, 1 mM EDTA, 3.0 M Ammonium Sulfate |
