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 |