4BLY

CRYSTAL STRUCTURE OF FUNGAL VERSATILE PEROXIDASE I FROM PLEUROTUS OSTREATUS - CRYSTAL FORM V

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2012-11-06
Detector	DECTRIS PILATUS
Spacegroup name	P 43
Unit cell lengths	93.780, 93.780, 38.150
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.940 - 1.794
R-factor	0.1675
Rwork	0.166
R-free	0.20290
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3fmu
RMSD bond length	0.016
RMSD bond angle	1.590
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	PHENIX ((PHENIX.REFINE))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.900
High resolution limit [Å]	1.790	1.790
Rmerge	0.240	0.150
Number of reflections	31336
<I/σ(I)>	2	1.6
Completeness [%]	99.5	96.7
Redundancy	13.1	12.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1				0.1 M NA-HEPES AT PH 7.5, 1.6 M (NH4)2SO4 & 2 % PEG 1000.