4W7O

CRYSTAL STRUCTURE OF A DECOLORIZING PEROXIDASE (DYP) FROM AURICULARIA AURICULA-JUDAE. G169L, Y147S AND W377S TRIPLE 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)	1.005822
Spacegroup name	C 1 2 1
Unit cell lengths	104.370, 56.095, 82.041
Unit cell angles	90.00, 96.90, 90.00

Refinement procedure

Resolution	46.305 - 1.200
R-factor	0.1415
Rwork	0.141
R-free	0.15290
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4afv
RMSD bond length	0.008
RMSD bond angle	1.293
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	1.270
High resolution limit [Å]	1.200	1.200
Rmerge		0.954
Number of reflections	147432
<I/σ(I)>	15.4	3.1
Completeness [%]	99.2	45.8
Redundancy	6.4	6.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	35% PEG 2000 MME