3WCV
The structure of a deoxygenated 400 kda hemoglobin provides a more accurate description of the cooperative mechanism of giant hemoglobins: CA bound form
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL41XU |
Synchrotron site | SPring-8 |
Beamline | BL41XU |
Temperature [K] | 90 |
Detector technology | CCD |
Collection date | 2009-10-12 |
Detector | RAYONIX MX225HE |
Wavelength(s) | 1.0000 |
Spacegroup name | P 63 |
Unit cell lengths | 108.944, 108.944, 195.016 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 36.330 - 2.600 |
R-factor | 0.235 |
Rwork | 0.235 |
R-free | 0.26700 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 3wct |
RMSD bond length | 0.010 |
RMSD bond angle | 1.300 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | CNS (1.2) |
Refinement software | CNS (1.2) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.690 |
High resolution limit [Å] | 2.600 | 2.600 |
Number of reflections | 40209 | |
<I/σ(I)> | 22.9 | 5.1 |
Completeness [%] | 99.9 | 100 |
Redundancy | 5.7 | 5.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 13-18% PEG 3350, 0-5mM Ca acetate/Mg acetate, 100mM HEPES-NaOH, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |