1YFF
STRUCTURE OF HUMAN CARBONMONOXYHEMOGLOBIN C (BETA E6K): TWO QUATERNARY STATES (R2 and R3) IN ONE CRYSTAL
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU200 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2003-03-20 |
Detector | RIGAKU RAXIS IV |
Wavelength(s) | 1.5418 |
Spacegroup name | P 41 |
Unit cell lengths | 80.320, 80.320, 179.260 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 2.400 |
R-factor | 0.228 |
Rwork | 0.228 |
R-free | 0.25000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1m9p |
RMSD bond length | 0.012 |
RMSD bond angle | 1.500 |
Data scaling software | SCALEPACK |
Phasing software | MOLREP ((CCP4)) |
Refinement software | CNS (1.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.550 |
High resolution limit [Å] | 2.400 | 2.400 |
Rmerge | 0.072 | 0.300 |
Number of reflections | 43129 | |
<I/σ(I)> | 5.4 | 2.7 |
Completeness [%] | 97.5 | 87.2 |
Redundancy | 7.5 | 2.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 298 | PEG 4000, SODIUM PHOSPHATE, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 298K |