5FNB

CRYSTAL STRUCTURE OF FUNGAL VERSATILE PEROXIDASE FROM PLEUROTUS ERYNGII SEPTUPLE MUTANT E37K, H39R, V160A, T184M, Q202L, D213A & 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 21
Unit cell lengths	55.060, 106.010, 107.600
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.015 - 1.792
R-factor	0.1862
Rwork	0.185
R-free	0.21940
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3fmu
RMSD bond length	0.007
RMSD bond angle	1.104
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	1.900
High resolution limit [Å]	1.800	1.800
Rmerge	0.410	1.500
Number of reflections	59335
<I/σ(I)>	6.8	0.7
Completeness [%]	98.6	94.2
Redundancy	13.1	12

Crystallization Conditions

crystal ID	method	pH	temperature	details
1				0.1 M TRIS-HCL (PH 7.8), 5 % PEG3350, 1.25 M (NH4)2SO4