4W7K
CRYSTAL STRUCTURE OF A DECOLORIZING PEROXIDASE (DYP) FROM AURICULARIA AURICULA-JUDAE. Y147S MUTANT
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALBA BEAMLINE XALOC |
Synchrotron site | ALBA |
Beamline | XALOC |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2013-02-06 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.00791 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 183.950, 55.870, 104.000 |
Unit cell angles | 90.00, 118.26, 90.00 |
Refinement procedure
Resolution | 33.627 - 1.050 |
R-factor | 0.1364 |
Rwork | 0.135 |
R-free | 0.15680 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4afv |
RMSD bond length | 0.009 |
RMSD bond angle | 1.410 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine: 1.9_1692)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.110 |
High resolution limit [Å] | 1.050 | 1.050 |
Rmerge | 1.052 | |
Number of reflections | 364516 | |
<I/σ(I)> | 12.3 | 1 |
Completeness [%] | 82.6 | 29.8 |
Redundancy | 6 | 2.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 298 | 35% PEG 2000 MME |