1Y5K
T-To-T(High) quaternary transitions in human hemoglobin: betaD99A deoxy low-salt (10 test sets)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU200 |
Temperature [K] | 277 |
Detector technology | IMAGE PLATE |
Collection date | 2004-05-05 |
Detector | RIGAKU RAXIS IV |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 97.460, 99.880, 66.000 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 10.000 - 2.200 |
R-factor | 0.16783 |
Rwork | 0.161 |
R-free | 0.22655 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1y0w |
RMSD bond length | 0.023 |
RMSD bond angle | 2.056 |
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] | 50.000 | 2.380 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.069 | 0.222 |
Number of reflections | 26819 | |
<I/σ(I)> | 9.2 | 3.1 |
Completeness [%] | 80.3 | 35.1 |
Redundancy | 5.4 | 2.3 |
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 |