4NI0
Quaternary R3 CO-liganded hemoglobin structure in complex with a thiol containing compound
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2013-09-16 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 41 2 2 |
| Unit cell lengths | 62.064, 62.064, 173.882 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 18.590 - 2.150 |
| R-factor | 0.228 |
| Rwork | 0.228 |
| R-free | 0.25900 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 1yzi |
| RMSD bond length | 0.013 |
| RMSD bond angle | 2.000 |
| Data reduction software | d*TREK |
| Data scaling software | d*TREK |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.200 | 2.180 |
| High resolution limit [Å] | 2.150 | 2.150 |
| Rmerge | 0.095 | 0.450 |
| Number of reflections | 19122 | |
| <I/σ(I)> | 14.9 | 5.4 |
| Completeness [%] | 98.6 | 97.9 |
| Redundancy | 10.8 | 11.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | LIQUID DIFFUSION | 6.8 | 298 | 20-30mg/mL protein, 3.0-3.4 M Sodium/potassium phosphate, pH 6.8, LIQUID DIFFUSION, temperature 298K |
