3D17
A triply ligated crystal structure of relaxed state human hemoglobin
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2006-07-14 |
Detector | RIGAKU RAXIS |
Wavelength(s) | 1.5418 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 87.282, 87.282, 174.466 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.900 - 2.800 |
R-factor | 0.255 |
Rwork | 0.232 |
R-free | 0.29700 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ijw |
RMSD bond length | 0.010 |
RMSD bond angle | 1.900 |
Data reduction software | d*TREK |
Data scaling software | d*TREK |
Phasing software | AMoRE |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 39.000 | 2.900 |
High resolution limit [Å] | 2.800 | 2.800 |
Rmerge | 0.128 | 0.352 |
Number of reflections | 16653 | |
<I/σ(I)> | 7.8 | 3.7 |
Completeness [%] | 95.8 | 95.9 |
Redundancy | 3.5 | 3.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | LIQUID DIFFUSION | 6.4 | 298 | NaPhosph, KPhosph, Toluene, pH 6.4, liquid diffusion, temperature 298K |