6A6Q

Crystal structure of a lignin peroxidase isozyme H8 variant that is stable at very acidic pH

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 7A (6B, 6C1)
Synchrotron site	PAL/PLS
Beamline	7A (6B, 6C1)
Temperature [K]	100
Detector technology	CCD
Collection date	2018-05-31
Detector	ADSC QUANTUM 270
Wavelength(s)	0.9793
Spacegroup name	P 1 21 1
Unit cell lengths	41.212, 99.621, 48.322
Unit cell angles	90.00, 113.86, 90.00

Refinement procedure

Resolution	29.720 - 1.670
R-factor	0.1429
Rwork	0.141
R-free	0.17070
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1b80
RMSD bond length	0.016
RMSD bond angle	2.066
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0222)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.690
High resolution limit [Å]	1.660	1.660
Rmerge	0.078	0.296
Rmeas	0.093
Rpim	0.049
Number of reflections	40502	1927
<I/σ(I)>	32.06	5.1
Completeness [%]	97.7	94.4
Redundancy	3.2	2.6
CC(1/2)	0.985	0.803

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5	293	PEG 6000