6FQF
THE X-RAY STRUCTURE OF FERRIC-BETA4 HUMAN HEMOGLOBIN
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-04-29 |
| Detector | RIGAKU SATURN 944 |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 52.700, 82.100, 62.500 |
| Unit cell angles | 90.00, 91.30, 90.00 |
Refinement procedure
| Resolution | 62.480 - 2.100 |
| R-factor | 0.20748 |
| Rwork | 0.204 |
| R-free | 0.26546 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1cbm |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.940 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.8.0189) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 62.480 | 2.160 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.091 | |
| Number of reflections | 31016 | |
| <I/σ(I)> | 20.6 | |
| Completeness [%] | 96.1 | |
| Redundancy | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | The crystals used in the diffraction experiments were obtained with a protein concentration of 8 mg/ml, at pH 7.0. The composition of the reservoir solution was 2.5 M ammonium sulphate and 0.26 M sodium phosphate buffer at pH 7.0. |
