1Y31
T-To-T(High) quaternary transitions in human hemoglobin: betaY35A deoxy low-salt (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 | 1995-12-01 |
Detector | SDMS |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 97.200, 99.200, 65.900 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 10.000 - 2.130 |
Rwork | 0.168 |
R-free | 0.25100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1y0t |
RMSD bond length | 0.012 |
RMSD bond angle | 0.029 |
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 | 2.290 |
High resolution limit [Å] | 2.130 | 2.130 |
Rmerge | 0.112 | 0.250 |
Number of reflections | 35285 | |
<I/σ(I)> | 7.2 | 1.7 |
Completeness [%] | 97.2 | 86.7 |
Redundancy | 6.8 | 3.2 |
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 298.0K |