1UFJ
Crystal Structure of an Artificial Metalloprotein:Fe(III)(3,3'-Me2-salophen)/apo-A71G Myoglobin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2002-10-23 |
| Detector | RIGAKU RAXIS VII |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 33.268, 57.600, 75.296 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 24.930 - 1.600 |
| Rwork | 0.198 |
| R-free | 0.21200 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 1j3f |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.800 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 1.660 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.097 | 0.293 |
| Number of reflections | 19013 | |
| <I/σ(I)> | 41.7 | 6.8 |
| Completeness [%] | 95.7 | 87.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.8 | 277 | SODIUM, POTASSIUM PHOSPHATE, pH 6.8, VAPOR DIFFUSION, SITTING DROP, temperature 277.0K |
