6IM7

CueO-12.1 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	C 1 2 1
Unit cell lengths	76.111, 100.731, 59.044
Unit cell angles	90.00, 96.17, 90.00

Refinement procedure

Resolution	29.350 - 1.970
R-factor	0.1422
Rwork	0.140
R-free	0.18440
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1kv7
RMSD bond length	0.007
RMSD bond angle	0.860
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]	30.000	30.000	2.000
High resolution limit [Å]	1.970	5.340	1.970
Rmerge	0.035	0.015	0.204
Rmeas	0.041	0.017	0.243
Rpim	0.021	0.009	0.130
Total number of observations	115207
Number of reflections	31017	1583	1517
<I/σ(I)>	19.7
Completeness [%]	99.9	99.7	99.5
Redundancy	3.7	3.7	3.4
CC(1/2)		0.999	0.956

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		289	20% w/v Polyethylene glycol 3000, 100mM TRIS pH 7, 200mM Calcium acetate