6ISS

Lignin peroxidase H8 triple mutant S49C/A67C/H239

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	2018-09-17
Detector	ADSC QUANTUM 270
Wavelength(s)	0.979
Spacegroup name	C 2 2 21
Unit cell lengths	72.959, 93.740, 227.371
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.490 - 1.530
R-factor	0.1709
Rwork	0.170
R-free	0.19570
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6a6q
RMSD bond length	0.013
RMSD bond angle	1.779
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0232)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.560
High resolution limit [Å]	1.530	1.530
Rmerge	0.066	0.388
Number of reflections	115965
<I/σ(I)>	25.76	3.39
Completeness [%]	98.8
Redundancy	5.8
CC(1/2)		0.701

Crystallization Conditions

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