3D4X
Crystal structure determination of cat (Felis silvestris catus) hemoglobin at 2.2 angstrom resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 293 |
| Detector technology | IMAGE PLATE |
| Collection date | 2008-02-26 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.54179 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 56.045, 74.195, 72.272 |
| Unit cell angles | 90.00, 102.80, 90.00 |
Refinement procedure
| Resolution | 29.520 - 2.200 |
| R-factor | 0.19525 |
| Rwork | 0.188 |
| R-free | 0.25812 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1hda |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.319 |
| Data reduction software | AUTOMAR |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.280 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.069 | 0.304 |
| Number of reflections | 28427 | |
| <I/σ(I)> | 6.4 | 1.2 |
| Completeness [%] | 95.2 | 93.7 |
| Redundancy | 2.46 | 2.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 50% PEG 3350, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
