7MEK

Structure of copper bound to Ycnl

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	2019-12-13
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1.3776
Spacegroup name	P 63 2 2
Unit cell lengths	90.190, 90.190, 209.120
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.520 - 2.110
R-factor	0.1968
Rwork	0.195
R-free	0.21750
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3esm
RMSD bond length	0.002
RMSD bond angle	0.526
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.160
High resolution limit [Å]	2.110	2.110
Rmeas	0.138
Number of reflections	54321	3960
<I/σ(I)>	9.64	2.64
Completeness [%]	99.6	98
Redundancy	5.3
CC(1/2)	0.995	0.569

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1M citric acid, 2.17 M ammonium sulfate