7MSB

Structure of EED bound to EEDi-4259

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	CCD
Collection date	2018-10-04
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.979
Spacegroup name	P 21 21 21
Unit cell lengths	57.867, 85.024, 91.988
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	18.000 - 1.900
R-factor	0.162
Rwork	0.160
R-free	0.19000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	in house structure
RMSD bond length	0.010
RMSD bond angle	1.030
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	BUSTER (2.10.3)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.930
High resolution limit [Å]	1.900	5.160	1.900
Rmerge	0.093	0.027	0.661
Rmeas	0.101	0.029	0.711
Rpim	0.037	0.011	0.262
Total number of observations	269118
Number of reflections	36678	2000	1799
<I/σ(I)>	7.3
Completeness [%]	100.0	99.8	100
Redundancy	7.3	6.7	7.3
CC(1/2)		0.999	0.855

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	2uL of protein + 2 uL of well (0.1 M Tris pH 8.5, 20% glycerol, 4.3 M Na Formate, 10 mM TCEP)