4W7L
CRYSTAL STRUCTURE OF A DECOLORIZING PEROXIDASE (DYP) FROM AURICULARIA AURICULA-JUDAE. D168N 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 | 183.650, 56.260, 103.820 |
Unit cell angles | 90.00, 117.81, 90.00 |
Refinement procedure
Resolution | 37.714 - 1.050 |
R-factor | 0.1318 |
Rwork | 0.131 |
R-free | 0.14980 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4afv |
RMSD bond length | 0.010 |
RMSD bond angle | 1.432 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine: 1.8.1_1168)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.110 |
High resolution limit [Å] | 1.050 | 1.050 |
Rmerge | 0.505 | |
Number of reflections | 405267 | |
<I/σ(I)> | 12.7 | 1.7 |
Completeness [%] | 91.5 | 54.3 |
Redundancy | 5.8 | 3.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 298 | 35% PEG 2000 MME |