6P16

Cu-bound PCuAC domain from PmoF1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-D
Synchrotron site	APS
Beamline	21-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-12-01
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1.373
Spacegroup name	P 21 21 21
Unit cell lengths	54.285, 65.818, 77.952
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.537 - 1.913
R-factor	0.1988
Rwork	0.195
R-free	0.23730
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6p1e
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	33.537	33.537	1.960
High resolution limit [Å]	1.910	8.560	1.910
Rmerge	0.098	0.041	1.399
Rmeas	0.116	0.048	1.665
Total number of observations	141162
Number of reflections	40709	452	2943
<I/σ(I)>	7.14	23.22	0.76
Completeness [%]	97.7	98.5	95.4
Redundancy	3.468	3.71	3.376
CC(1/2)	0.995	0.992	0.314

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.7	300	0.1 M MES, 20% PEG8000