3AFV
Dye-decolorizing peroxidase (DyP) at 1.4 A resolution
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE AR-NE3A |
Synchrotron site | Photon Factory |
Beamline | AR-NE3A |
Temperature [K] | 95 |
Detector technology | CCD |
Collection date | 2009-06-15 |
Detector | ADSC QUANTUM 270 |
Wavelength(s) | 1.0000 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 46.789, 95.968, 50.303 |
Unit cell angles | 90.00, 103.84, 90.00 |
Refinement procedure
Resolution | 48.850 - 1.400 |
R-factor | 0.179 |
Rwork | 0.178 |
R-free | 0.19700 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | PDB 2d3q |
RMSD bond length | 0.009 |
RMSD bond angle | 1.271 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.5.0072) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.420 |
High resolution limit [Å] | 1.400 | 3.800 | 1.400 |
Rmerge | 0.073 | 0.049 | 0.357 |
Number of reflections | 83584 | ||
<I/σ(I)> | 9.3 | ||
Completeness [%] | 98.9 | 98.7 | 93.8 |
Redundancy | 3.7 | 3.6 | 3.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 278 | PEG 8000, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 278K |