1XYE
T-to-THigh Transitions in Human Hemoglobin: alpha Y42A deoxy low salt
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU200 |
Temperature [K] | 298 |
Detector technology | AREA DETECTOR |
Collection date | 1995-11-11 |
Detector | SDMS |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 97.000, 99.300, 66.200 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 10.000 - 2.130 |
R-factor | 0.19655 |
Rwork | 0.192 |
R-free | 0.24126 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1rq3 |
RMSD bond length | 0.021 |
RMSD bond angle | 1.967 |
Data reduction software | SDMS |
Data scaling software | SDMS |
Phasing software | X-PLOR |
Refinement software | REFMAC (5.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 2.290 | |
High resolution limit [Å] | 2.130 | 2.130 |
Rmerge | 0.059 | 0.185 |
Number of reflections | 36379 | |
<I/σ(I)> | 5.4 | 1.3 |
Completeness [%] | 97.9 | 90.2 |
Redundancy | 6.7 | 3.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | batch | 7 | 298 | 10% PEG 6000, 10 mM potassium phosphate, 100 mM potassium chloride, 3 mM sodium dithionite, 10 mg/ml Hb, pH 7.0, batch, temperature 298K |