4M4A
Human Hemoglobin Nitromethane Modified
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RUH3R |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2009-01-22 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.5418 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 53.573, 53.573, 191.870 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 21.400 - 2.050 |
R-factor | 0.2267 |
Rwork | 0.224 |
R-free | 0.27990 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3d7o |
RMSD bond length | 0.008 |
RMSD bond angle | 1.088 |
Data reduction software | d*TREK |
Data scaling software | d*TREK |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine: 1.6_289)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 21.400 | 2.120 |
High resolution limit [Å] | 2.050 | 2.050 |
Rmerge | 0.087 | 0.230 |
Number of reflections | 18023 | |
<I/σ(I)> | 9.2 | 4.8 |
Completeness [%] | 97.7 | 92.9 |
Redundancy | 6.13 | 6.44 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | LIQUID DIFFUSION | 6.8 | 295 | sodium phosphate, potassium phosphate, toluene, pH 6.8, LIQUID DIFFUSION, temperature 295K |