1LJW
Crystal Structure of Human Carbonmonoxy Hemoglobin at 2.16 A: A Snapshot of the Allosteric Transition
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 298 |
| Detector technology | IMAGE PLATE |
| Collection date | 2001-02-21 |
| Detector | RIGAKU RAXIS II |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 53.566, 53.566, 192.960 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 60.000 - 2.160 |
| R-factor | 0.194 * |
| Rwork | 0.194 |
| R-free | 0.25900 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 2hco |
| RMSD bond length | 0.013 |
| RMSD bond angle | 19.800 * |
| Data reduction software | bioteX |
| Data scaling software | bioteX |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 60.000 | 2.260 |
| High resolution limit [Å] | 2.160 | 2.160 |
| Rmerge | 0.052 | 0.177 |
| Total number of observations | 44267 * | |
| Number of reflections | 14441 * | 1229 * |
| <I/σ(I)> | 17.3 | 5.1 |
| Completeness [%] | 90.2 * | 92.6 * |
| Redundancy | 3.1 | 2.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Batch method * | 6.4 | 298 | Perutz, M.F., (1968) J. Cryst. Growth, 2, 54. * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | 1 | protein | 40 (mg/ml) | |
| 2 | 1 | 1 | sodium potassium phosphate | 3.4 (M) | pH6.4 |
| 3 | 1 | 1 | phosphate | 2.35-2.65 (M) |
