1G9V
HIGH RESOLUTION CRYSTAL STRUCTURE OF DEOXY HEMOGLOBIN COMPLEXED WITH A POTENT ALLOSTERIC EFFECTOR
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 298 |
| Detector technology | IMAGE PLATE |
| Collection date | 1997-08-06 |
| Detector | RIGAKU RAXIS II |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 63.200, 83.560, 53.860 |
| Unit cell angles | 90.00, 99.16, 90.00 |
Refinement procedure
| Resolution | 55.000 - 1.850 |
| R-factor | 0.177 * |
| Rwork | 0.177 |
| R-free | 0.20800 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 1HHB |
| RMSD bond length | 0.011 |
| RMSD bond angle | 19.100 * |
| Data scaling software | CCP4 ((AGROVATA) |
| Phasing software | X-PLOR |
| Refinement software | X-PLOR (3.843) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 55.000 | 1.910 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.059 | 0.271 |
| Total number of observations | 165826 * | |
| Number of reflections | 44139 | 3912 * |
| <I/σ(I)> | 6.9 | 2.5 |
| Completeness [%] | 93.7 | 85.1 |
| Redundancy | 3.8 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Batch method * | 6.5 | 298 | Ammonium sulfate, ammonium phosphate, ferrous citrate, pH 6.5, LIQUID DIFFUSION, temperature 298K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | 1 | sulfate/phosphate | 3.6 (M) |
