7OO5

Crystal structure of the lignin peroxidase (ApeLiP) from Agrocybe pediades

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	2017-07-14
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97924
Spacegroup name	P 21 21 21
Unit cell lengths	48.126, 74.950, 82.768
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	55.560 - 1.850
R-factor	0.2336
Rwork	0.232
R-free	0.26870
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4bln
RMSD bond length	0.008
RMSD bond angle	1.138
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	74.950	1.950
High resolution limit [Å]	1.850	1.850
Rmerge	0.058	0.522
Rmeas	0.064	0.569
Rpim	0.026	0.225
Number of reflections	26316	3760
<I/σ(I)>	15.5	3
Completeness [%]	99.8	100
Redundancy	6.3	6.4
CC(1/2)	0.997	0.931

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	25% PEG500 MME, 100mM MES pH 6.5, 10mM ZnSO4