8UM6

Structure of copper bound to YcnI W137F

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	2023-03-19
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1.3776
Spacegroup name	P 63 2 2
Unit cell lengths	90.263, 90.263, 207.508
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	39.090 - 1.950
R-factor	0.21
Rwork	0.203
R-free	0.23880
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.788
Data reduction software	DIALS (3.14.2)
Data scaling software	DIALS (3.14.2)
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	103.750	1.980
High resolution limit [Å]	1.950	1.950
Rmerge	0.316	1.112
Rmeas	0.320	1.127
Rpim	0.052	0.185
Number of reflections	37400	1811
<I/σ(I)>	5.6	0.4
Completeness [%]	100.0	100
Redundancy	38.1	36.9
CC(1/2)	0.994	0.774

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	3.5	293	0.1 M citric acid pH 3.5, 3.0 M NaCl