4BM4

CRYSTAL STRUCTURE OF MANGANESE PEROXIDASE 4 FROM PLEUROTUS OSTREATUS - CRYSTAL FORM IV

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	C 1 2 1
Unit cell lengths	123.870, 86.500, 41.400
Unit cell angles	90.00, 108.05, 90.00

Refinement procedure

Resolution	43.250 - 2.300
R-factor	0.2287
Rwork	0.225
R-free	0.29710
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3fmu
RMSD bond length	0.009
RMSD bond angle	1.251
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	2.430
High resolution limit [Å]	2.300	2.300
Rmerge	0.100	0.300
Number of reflections	18317
<I/σ(I)>	14.2	5.2
Completeness [%]	97.6	92.5
Redundancy	6.6	6.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1				0.1 M CAPS AT PH 10.5, 1.2 M NAH2PO4/0.8 M K2HPO4 & 0.2 M LI2SO4.