8QWT

Ligninolytic manganese peroxidase Cst-MnP1 from Agaricales mushrooms in complex with a manganese ion

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALBA BEAMLINE XALOC
Synchrotron site	ALBA
Beamline	XALOC
Temperature [K]	110
Detector technology	PIXEL
Collection date	2019-07-25
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97926
Spacegroup name	P 21 21 21
Unit cell lengths	47.790, 56.640, 109.510
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	54.755 - 1.500
Rwork	0.163
R-free	0.18880
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.863
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	56.640	1.530
High resolution limit [Å]	1.500	1.500
Rmerge	0.114	1.147
Rmeas	0.138	1.389
Rpim	0.076	0.773
Number of reflections	48414	2237
<I/σ(I)>	8.3	1.8
Completeness [%]	99.9	99.8
Redundancy	5.8
CC(1/2)	0.996	0.638

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	295	20% PEG 8000, 0,1 M Tris-HCl, pH 7, 0,3M MgCl2