2AUP
Residue F4 plays a key role in modulating oxygen affinity and cooperativity in Scapharca dimeric hemoglobin
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU200 |
Temperature [K] | 298 |
Detector technology | IMAGE PLATE |
Collection date | 2000-08-31 |
Detector | RIGAKU RAXIS IIC |
Wavelength(s) | 1.5418 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 92.130, 44.330, 143.910 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 26.730 - 1.800 |
R-factor | 0.18 |
Rwork | 0.180 |
R-free | 0.20500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4sdh |
RMSD bond length | 0.005 |
RMSD bond angle | 1.400 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 26.700 | 1.860 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.053 | 0.321 |
Number of reflections | 24393 | |
<I/σ(I)> | 17 | 3.9 |
Completeness [%] | 87.8 | 78.2 |
Redundancy | 3.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | SMALL TUBES | 8.5 | 298 | Phosphate, pH 8.5, SMALL TUBES, temperature 298K |