3HF4
Crystal structure of rat methemoglobin in R2 state
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 273 |
| Detector technology | IMAGE PLATE |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.54170 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 94.140, 54.015, 115.008 |
| Unit cell angles | 90.00, 93.80, 90.00 |
Refinement procedure
| Resolution | 19.160 - 2.700 |
| R-factor | 0.21906 |
| Rwork | 0.213 |
| R-free | 0.27497 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3dht |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.028 |
| Data reduction software | AUTOMAR |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.800 |
| High resolution limit [Å] | 2.700 | 2.700 |
| Number of reflections | 15682 | |
| <I/σ(I)> | 4.2 | 1.2 |
| Completeness [%] | 97.4 | 99.1 |
| Redundancy | 2.83 | 2.68 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 50mM phosphate buffer, peg 6000, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
