6P17

Apo 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	2018-08-08
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1.373
Spacegroup name	P 21 21 21
Unit cell lengths	47.642, 60.579, 85.100
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.448 - 1.851
R-factor	0.2317
Rwork	0.227
R-free	0.27720
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]	37.448	37.448	1.750
High resolution limit [Å]	1.700	7.610	1.700
Rmerge	0.129	0.082	1.043
Rmeas	0.153	0.098	1.240
Total number of observations	174487
Number of reflections	21609	571	3422
<I/σ(I)>	5.29	11.75	1.14
Completeness [%]	96.8	98.8	88.4
Redundancy	3.451	3.79	3.407
CC(1/2)	0.985	0.987	0.651

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.6	300	0.1 M sodium acetate, 0.2 M ammonium acetate, 34% PEG4000