7MSD

Structure of EED bound to EEDi-6068

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2020-02-11
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.979
Spacegroup name	P 21 21 21
Unit cell lengths	57.800, 85.570, 91.916
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.900 - 2.200
R-factor	0.1786
Rwork	0.177
R-free	0.21250
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	in-house model
RMSD bond length	0.008
RMSD bond angle	1.010
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	BUSTER (2.10.3 (6-FEB-2020))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.240
High resolution limit [Å]	2.200	5.970	2.200
Rmerge	0.095	0.031	0.897
Rmeas	0.103	0.034	0.965
Rpim	0.038	0.013	0.354
Total number of observations	172046
Number of reflections	23519	1304	1123
<I/σ(I)>	7.2
Completeness [%]	100.0	99.8	100
Redundancy	7.3	6.5	7.4
CC(1/2)		0.998	0.774

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	0.1 M Tris pH 8.5, 20% glycerol, 4.5 M Na Formate, 10 mM TCEP