3W4U
Human zeta-2 beta-2-s hemoglobin
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2012-06-18 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.5418 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 115.540, 115.540, 140.900 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 19.950 - 1.950 |
R-factor | 0.2076 |
Rwork | 0.205 |
R-free | 0.25470 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1jeb |
RMSD bond length | 0.020 |
RMSD bond angle | 1.778 |
Data reduction software | d*TREK |
Data scaling software | d*TREK |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 19.950 | 2.020 |
High resolution limit [Å] | 1.950 | 1.950 |
Rmerge | 0.079 | 0.415 |
Number of reflections | 79112 | |
<I/σ(I)> | 17.6 | 2.4 |
Completeness [%] | 99.5 | 98.7 |
Redundancy | 13.4 | 4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.4 | 298 | 3.1M sodium potassium phosphate, pH 6.4, VAPOR DIFFUSION, HANGING DROP, temperature 298K |