4M4B
Human Hemoglobin Nitroethane Modified
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RUH3R |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2009-02-10 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.5418 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 53.443, 53.443, 193.581 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 21.430 - 2.000 |
R-factor | 0.2312 |
Rwork | 0.229 |
R-free | 0.27040 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3d7o |
RMSD bond length | 0.009 |
RMSD bond angle | 1.231 |
Data reduction software | d*TREK |
Data scaling software | d*TREK |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine: 1.7.3_928)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 21.430 | 2.070 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.044 | 0.274 |
Number of reflections | 19790 | |
<I/σ(I)> | 22.1 | 5.8 |
Completeness [%] | 99.4 | 93.5 |
Redundancy | 10.29 | 7.05 |
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 |