1QI8
DEOXYGENATED STRUCTURE OF A DISTAL POCKET HEMOGLOBIN MUTANT
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 293 |
| Detector technology | IMAGE PLATE |
| Collection date | 1999-02-01 |
| Detector | RIGAKU |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 63.360, 94.320, 54.000 |
| Unit cell angles | 90.00, 99.43, 90.00 |
Refinement procedure
| Resolution | 16.000 - 1.800 |
| Rwork | 0.169 |
| R-free | 0.22200 |
| Structure solution method | OTHER |
| Starting model (for MR) | 2hhb |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.890 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.860 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.082 | 0.197 |
| Total number of observations | 51582 * | |
| Number of reflections | 42464 | |
| <I/σ(I)> | 12.1 | |
| Completeness [%] | 95.0 | 64.4 |
| Redundancy | 4.12 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.5 | refer to Perutz, M.F., (1968) J. Cryst. Growth, 2, 54. * |
