1YIE
T-to-thigh quaternary transitions in human hemoglobin: betaW37A oxy (2.2MM IHP, 13% PEG) (1 test set)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU200 |
Temperature [K] | 298 |
Detector technology | AREA DETECTOR |
Collection date | 1996-02-16 |
Detector | SDMS |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 96.200, 99.000, 66.800 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 10.000 - 2.400 |
Rwork | 0.185 |
R-free | 0.27300 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1y0t |
RMSD bond length | 0.010 |
RMSD bond angle | 0.025 |
Data reduction software | SDMS |
Data scaling software | SDMS |
Phasing software | X-PLOR |
Refinement software | PROLSQ |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.580 |
High resolution limit [Å] | 2.400 | 2.400 |
Rmerge | 0.107 | 0.281 |
Number of reflections | 24954 | |
<I/σ(I)> | 7.2 | 1.6 |
Completeness [%] | 97.1 | 90.4 |
Redundancy | 4.9 | 3.6 |
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 7.00, batch, temperature 298.0K |