1YHR
T-To-T(High) quaternary transitions in human hemoglobin: HbA OXY (10.0MM IHP, 20% PEG) (10 test sets)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU200 |
Temperature [K] | 169 |
Detector technology | IMAGE PLATE |
Collection date | 2001-09-26 |
Detector | RIGAKU RAXIS IV |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 95.200, 98.400, 66.500 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 10.000 - 2.600 |
R-factor | 0.18456 |
Rwork | 0.175 |
R-free | 0.26955 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1rq3 |
RMSD bond length | 0.021 |
RMSD bond angle | 1.882 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | X-PLOR |
Refinement software | REFMAC (5.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.429 | 2.790 |
High resolution limit [Å] | 2.600 | 2.600 |
Rmerge | 0.093 | 0.208 |
Number of reflections | 18673 | |
<I/σ(I)> | 7.3 | 3.3 |
Completeness [%] | 94.7 | 89 |
Redundancy | 3.2 | 3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7 | 298 | 10% PEG 6000, 10 MM POTASSIUM PHOSPHATE, 100 MM POTASSIUM CHLORIDE, 3 MM SODIUM DITHIONITE, 10 MG/ML DEOXYHB, 1 ATM N2, pH 7.0, batch, temperature 298.0K |