5TTW

Crystal Structure of EED in Complex with UNC4859

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	CCD
Collection date	2016-07-08
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97918
Spacegroup name	C 1 2 1
Unit cell lengths	176.486, 56.212, 76.687
Unit cell angles	90.00, 105.33, 90.00

Refinement procedure

Resolution	85.100 - 1.740
R-factor	0.1693
Rwork	0.167
R-free	0.21390
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB ID 3K26
RMSD bond length	0.019
RMSD bond angle	1.871
Data reduction software	XDS
Data scaling software	Aimless (0.5.27)
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0155)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	85.100	85.100	1.770
High resolution limit [Å]	1.740	9.040	1.740
Rmerge	0.114	0.034	1.475
Rmeas	0.134
Rpim	0.069
Total number of observations	274004
Number of reflections	74365
<I/σ(I)>	8.5
Completeness [%]	99.7	99.5	95.6
Redundancy	3.7	3.5	3.4
CC(1/2)	0.995	0.998	0.282

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	5.5	291.15	20% PEG3350, 0.1 M ammonium sulfate, 0.1M Bis Tris pH 5.5