3WHM
Structure of Hemoglobin Complex with 18-crown-6
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E SUPERBRIGHT |
| Temperature [K] | 200 |
| Detector technology | IMAGE PLATE |
| Collection date | 2012-09-06 |
| Detector | RIGAKU RAXIS HTC |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 54.158, 104.638, 59.957 |
| Unit cell angles | 90.00, 108.69, 90.00 |
Refinement procedure
| Resolution | 24.970 - 1.850 |
| R-factor | 0.20575 |
| Rwork | 0.203 |
| R-free | 0.25286 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1a3n |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.304 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 25.000 |
| High resolution limit [Å] | 1.850 |
| Number of reflections | 50382 |
| Completeness [%] | 93.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 277 | 30% (w/v) PEG 3350, 0.2M Lithium sulfate, 0.1M Tris pH 8.0, 25mM 18-crown-6, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
