4M4A
Human Hemoglobin Nitromethane Modified
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RUH3R |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2009-01-22 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 53.573, 53.573, 191.870 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 21.400 - 2.050 |
| R-factor | 0.2267 |
| Rwork | 0.224 |
| R-free | 0.27990 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3d7o |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.088 |
| Data reduction software | d*TREK |
| Data scaling software | d*TREK |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.6_289)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 21.400 | 2.120 |
| High resolution limit [Å] | 2.050 | 2.050 |
| Rmerge | 0.087 | 0.230 |
| Number of reflections | 18023 | |
| <I/σ(I)> | 9.2 | 4.8 |
| Completeness [%] | 97.7 | 92.9 |
| Redundancy | 6.13 | 6.44 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | LIQUID DIFFUSION | 6.8 | 295 | sodium phosphate, potassium phosphate, toluene, pH 6.8, LIQUID DIFFUSION, temperature 295K |
