3OO5
R-state human hemoglobin: nitriheme modified
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RUH3R |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2010-03-21 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.5418 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 53.499, 53.499, 192.221 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 27.486 - 2.100 |
R-factor | 0.2349 |
Rwork | 0.232 |
R-free | 0.28730 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ljw |
RMSD bond length | 0.009 |
RMSD bond angle | 1.166 |
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] | 27.500 | 2.180 |
High resolution limit [Å] | 2.100 | 2.100 |
Number of reflections | 17179 | |
Completeness [%] | 100.0 | 100 |
Redundancy | 14.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | LIQUID DIFFUSION | 295 | sodium phosphate, potassium phosphate, nitrite, toluene, human hemoglobin, LIQUID DIFFUSION, temperature 295K |