4ROM
Deoxyhemoglobin in complex with imidazolylacryloyl derivatives
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2014-05-12 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 61.985, 78.922, 53.264 |
| Unit cell angles | 90.00, 98.44, 90.00 |
Refinement procedure
| Resolution | 33.180 - 1.900 |
| R-factor | 0.213 |
| Rwork | 0.213 |
| R-free | 0.24800 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.400 |
| Data reduction software | d*TREK |
| Data scaling software | d*TREK |
| Phasing software | CNS |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 33.750 | 1.970 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.034 | 0.163 |
| Number of reflections | 37044 | |
| <I/σ(I)> | 22.7 | 5 |
| Completeness [%] | 92.5 | 87.8 |
| Redundancy | 3.64 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | LIQUID DIFFUSION | 6.8 | 298 | 3.2 M sulfate/phosphate precipitant, pH 6.8, LIQUID DIFFUSION, temperature 298K |
