3S1I
Crystal structure of oxygen-bound hell's gate globin I
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2010-01-19 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 70.092, 126.181, 147.160 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 35.046 - 1.770 |
| R-factor | 0.2073 |
| Rwork | 0.207 |
| R-free | 0.22460 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.977 |
| Data reduction software | CrystalClear |
| Data scaling software | CrystalClear |
| Refinement software | PHENIX (1.7.1_743) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 36.070 | 1.830 |
| High resolution limit [Å] | 1.770 | 1.770 |
| Rmerge | 0.044 | 0.313 |
| Number of reflections | 63721 | |
| <I/σ(I)> | 12.8 | 3.4 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 3.88 | 3.82 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8 | 298 | Obtained by transferring acetate-bound crystals (3S1J) to 1.8M ammonium sulphate, 0.1M Tris-HCl, pH 8.0, temperature 298K |
