4DWT
Carbonmonoxy dehaloperoxidase-hemoglobin A structure at 2.05 Angstrom resolution
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RUH3R |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2010-02-22 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 1.54 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 57.910, 67.470, 68.720 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 35.000 - 2.050 |
R-factor | 0.20198 |
Rwork | 0.200 |
R-free | 0.23793 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2qfk |
RMSD bond length | 0.008 |
RMSD bond angle | 2.389 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 35.000 | 2.102 |
High resolution limit [Å] | 2.050 | 2.050 |
Rmerge | 0.131 | 0.666 |
Number of reflections | 16541 | |
<I/σ(I)> | 7.9 | 2.3 |
Completeness [%] | 99.7 | 98.71 |
Redundancy | 4.8 | 5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.9 | 277 | 0.2 M ammonium sulfate, 32% w/v PEG4000, pH 5.9, VAPOR DIFFUSION, HANGING DROP, temperature 277K |