4N7N
Capturing the haemoglobin allosteric transition in a single crystal form; Crystal structure of full-liganded human haemoglobin with phosphate at 2.75 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 | 227.619, 56.061, 141.555 |
| Unit cell angles | 90.00, 102.49, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.754 |
| Rwork | 0.251 |
| R-free | 0.28650 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.451 |
| 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 | 2.800 |
| High resolution limit [Å] | 2.750 | 2.750 |
| Rmerge | 0.058 | 0.431 |
| Number of reflections | 45029 | |
| <I/σ(I)> | 16.8 | |
| Completeness [%] | 98.2 | 81 |
| Redundancy | 4.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | microbatch under paraffin oil | 6.8 | 298 | 18% PEG3350, 5% glycerol , pH 6.8, microbatch under paraffin oil, temperature 298K |
