5FNE

CRYSTAL STRUCTURE OF FUNGAL VERSATILE PEROXIDASE FROM PLEUROTUS ERYNGII TRIPLE MUTANT E37K, H39R & G330R

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	2014-11-06
Detector	DECTRIS PILATUS 2M
Spacegroup name	P 21 21 2
Unit cell lengths	55.190, 104.200, 76.600
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.778 - 1.499
R-factor	0.1934
Rwork	0.192
R-free	0.22920
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3fmu
RMSD bond length	0.006
RMSD bond angle	1.126
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((PHENIX.REFINE))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.590
High resolution limit [Å]	1.500	1.500
Rmerge	0.270	1.500
Number of reflections	71617
<I/σ(I)>	8.5	0.8
Completeness [%]	99.5	97.2
Redundancy	12.8	12

Crystallization Conditions

crystal ID	method	pH	temperature	details
1				0.1 M NA-ACETATE (PH 4.5), 1.26 M (NH4)2SO4 AND 0.2 M NACL