3WCU
The structure of a deoxygenated 400 kda hemoglobin provides a more accurate description of the cooperative mechanism of giant hemoglobins: Deoxygenated form
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL44XU |
Synchrotron site | SPring-8 |
Beamline | BL44XU |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-07-06 |
Detector | Bruker DIP-6040 |
Wavelength(s) | 0.9000 |
Spacegroup name | P 63 |
Unit cell lengths | 108.872, 108.872, 195.157 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 42.450 - 2.900 |
R-factor | 0.246 |
Rwork | 0.246 |
R-free | 0.29200 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 3wct |
RMSD bond length | 0.009 |
RMSD bond angle | 1.200 |
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 | 3.000 |
High resolution limit [Å] | 2.900 | 2.900 |
Number of reflections | 28054 | |
<I/σ(I)> | 13.2 | 4.2 |
Completeness [%] | 96.5 | 98.8 |
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 |