3GQR
Crystal structure determination of cat (Felis silvestris catus) hemoglobin at 2.4 angstrom resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU300 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2008-03-03 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.5417 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 84.788, 94.053, 142.252 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.400 |
| R-factor | 0.23334 |
| Rwork | 0.225 |
| R-free | 0.30678 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3d4x |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.339 |
| Data reduction software | AUTOMAR |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.480 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.081 | 0.313 |
| Number of reflections | 39650 | |
| <I/σ(I)> | 3.8 | 1.2 |
| Completeness [%] | 97.3 | 94.2 |
| Redundancy | 3.39 | 3.37 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.7 | 293 | 40% PEG 3350, 50mM phosphate buffer pH 6.7, 1M NaCl, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
