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 |
