6IM8

CueO-PM2 multicopper oxidase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE BL13B1
Synchrotron site	NSRRC
Beamline	BL13B1
Temperature [K]	100
Detector technology	CCD
Collection date	2015-10-12
Detector	ADSC QUANTUM 315r
Wavelength(s)	1
Spacegroup name	P 1 21 1
Unit cell lengths	50.343, 90.961, 60.425
Unit cell angles	90.00, 104.90, 90.00

Refinement procedure

Resolution	35.881 - 1.801
R-factor	0.1624
Rwork	0.161
R-free	0.19410
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1kv7
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.830
High resolution limit [Å]	1.800	4.880	1.800
Rmerge	0.069	0.039	0.135
Rmeas	0.081	0.046	0.158
Rpim	0.043	0.024	0.082
Total number of observations	171001
Number of reflections	47465	2475	2417
<I/σ(I)>	18.2
Completeness [%]	97.6	98.8	99.9
Redundancy	3.6	3.7	3.7
CC(1/2)		0.994	0.979

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		289	18% w/v Polyethylene glycol 4000, 10% w/v 2-Propanol, 100mM Tris pH 8, 200mM Ammonium sulfate