4N7O
Capturing the haemoglobin allosteric transition in a single crystal form; Crystal structure of half-liganded human haemoglobin with phosphate at 2.5 A resolution.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-17A |
| Synchrotron site | Photon Factory |
| Beamline | BL-17A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-03-17 |
| Detector | ADSC QUANTUM 270 |
| Wavelength(s) | 1.0 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 228.935, 54.337, 137.884 |
| Unit cell angles | 90.00, 103.22, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.502 |
| Rwork | 0.267 |
| R-free | 0.29160 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.478 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.590 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.071 | 0.433 |
| Number of reflections | 56987 | |
| <I/σ(I)> | 12.9 | |
| Completeness [%] | 98.8 | 93.8 |
| Redundancy | 4.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | microbatch under paraffin oil | 6.8 | 298 | CO-saturated 1.0% XL[alpha(Fe-Co)beta(Ni)][alpha(Ni)beta(Fe-Co)], 17% PEG3350, 10mM Potassium phosphate pH6.8 , microbatch under paraffin oil, temperature 298K |
