3D7O
Human hemoglobin, nitrogen dioxide anion modified
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RUH3R |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2008-05-16 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 53.538, 53.538, 191.770 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 16.370 - 1.800 |
| R-factor | 0.208 |
| Rwork | 0.206 |
| R-free | 0.23700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ird |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.522 |
| Data reduction software | d*TREK |
| Data scaling software | d*TREK (9.9D) |
| Phasing software | MOLREP |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 16.370 | 1.860 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.082 | 0.457 |
| Total number of observations | 10752 | |
| Number of reflections | 26808 | |
| <I/σ(I)> | 10.2 | 2.9 |
| Completeness [%] | 99.8 | 98.3 |
| Redundancy | 7.74 | 4.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | LIQUID DIFFUSION | 6.8 | 295 | Sodium phosphate, Potassium phosphate, Toluene, Hemoglobin, pH 6.8, LIQUID DIFFUSION, temperature 295K |
