7L5C

Structure of copper bound MEMO1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08B1-1
Synchrotron site	CLSI
Beamline	08B1-1
Temperature [K]	100
Detector technology	CCD
Collection date	2020-03-12
Detector	RAYONIX MX-300
Wavelength(s)	0.9801
Spacegroup name	P 21 21 2
Unit cell lengths	140.630, 87.160, 98.590
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.910 - 2.550
R-factor	0.1919
Rwork	0.189
R-free	0.24670
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7kq8
Data reduction software	AutoProcess
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.19rc3_4028)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	42.910	42.910	2.670
High resolution limit [Å]	2.550	5.000	2.550
Rmerge	0.186	0.063	1.092
Rmeas	0.193	0.065	1.130
Number of reflections	40238	5602	5113
<I/σ(I)>	16.56	38.02	3.13
Completeness [%]	99.8	99.8	100
Redundancy	14.854	14.162	15.029
CC(1/2)	0.998	0.999	0.886

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	292	0.1 M MES pH 5.5-7.0 22% PEG3350 crystallization under anaerobic conditions