4NI1
Quaternary R 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 | 2013-09-07 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 53.120, 53.120, 192.100 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.590 - 1.900 |
| R-factor | 0.207 |
| Rwork | 0.207 |
| R-free | 0.25900 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 1ljw |
| RMSD bond length | 0.014 |
| 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] | 29.600 | 1.970 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.068 | 0.389 |
| Number of reflections | 20987 | |
| <I/σ(I)> | 14.5 | 5.4 |
| Completeness [%] | 92.2 | 92.4 |
| Redundancy | 7.6 | 8.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | LIQUID DIFFUSION | 6.4 | 298 | 20-30mg/mL protein, 3.0-3.4 M sodium/potassium phosphate, pH 6.4, LIQUID DIFFUSION, temperature 298K |
