3S66
Structures and oxygen affinities of crystalline human hemoglobin C (beta6 Lys) in the R quaternary structures
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 | 2010-11-08 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 53.097, 53.097, 191.526 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 18.773 - 1.401 |
| R-factor | 0.2097 |
| Rwork | 0.208 |
| R-free | 0.23310 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1m9p |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.079 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | PHENIX ((phenix.refine: 1.6.4_486)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.450 |
| High resolution limit [Å] | 1.400 | 1.400 |
| Rmerge | 0.034 | 0.213 |
| Number of reflections | 54017 | |
| <I/σ(I)> | 18 | |
| Completeness [%] | 97.9 | 91.8 |
| Redundancy | 8.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.2 | 293 | 1.65M phosphate buffer (0.528M NaH2PO4, 1.122M K2HPO4, pH 7.2), 10% (v/v) glycerol, 0.1% (w/v) D,L-homocysteine, Batch, temperature 293K |
