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 |