2HBS
THE HIGH RESOLUTION CRYSTAL STRUCTURE OF DEOXYHEMOGLOBIN S
Experimental procedure
| Source type | ROTATING ANODE |
| Source details | RIGAKU RUH2R |
| Temperature [K] | 295 |
| Detector technology | IMAGE PLATE |
| Collection date | 1995-03-09 |
| Detector | RIGAKU |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 63.344, 185.681, 52.933 |
| Unit cell angles | 90.00, 92.74, 90.00 |
Refinement procedure
| Resolution | 10.000 - 2.050 |
| R-factor | 0.165 |
| Rwork | 0.165 |
| R-free | 0.21500 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.490 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | X-PLOR (3.1) |
| Refinement software | X-PLOR (3.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 100.000 | 2.180 |
| High resolution limit [Å] | 2.050 | 2.050 |
| Rmerge | 0.093 * | 0.371 * |
| Number of reflections | 72955 | |
| Completeness [%] | 95.0 | 86.1 |
| Redundancy | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | unknown * | 4 | refer to Wishner, B.C., (1976) Proceedings of the Symposium on Molecular and Cellular Aspects of Sickle Cell Disease, pp. 1-31. * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | 1 | HbS | 120 (mg/ml) | |
| 2 | 1 | 1 | phosphate | 30 (mM) |
