6K3D

Structure of multicopper oxidase mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE AR-NW12A
Synchrotron site	Photon Factory
Beamline	AR-NW12A
Temperature [K]	100
Detector technology	CCD
Collection date	2017-11-23
Detector	ADSC QUANTUM 270
Wavelength(s)	1.0
Spacegroup name	I 41
Unit cell lengths	102.948, 102.948, 118.700
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.933 - 1.919
R-factor	0.177
Rwork	0.175
R-free	0.20990
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3aw5
RMSD bond length	0.010
RMSD bond angle	1.181
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	PHENIX (1.12_2829)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.950
High resolution limit [Å]	1.919	5.210	1.920
Rmerge	0.106	0.059	1.379
Rmeas	0.113	0.063	1.481
Rpim	0.041	0.023	0.537
Number of reflections	47159	2403	2322
<I/σ(I)>	8.2
Completeness [%]	100.0	99.7	100
Redundancy	7.6	7.4	7.6
CC(1/2)		0.997	0.696

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	9	293	PEG 1500, MMT buffer