8ROI

Human cohesin SMC3-HD(EQ)/RAD21-N complex - ADP-bound conformation

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-05-05
Detector	DECTRIS PILATUS 2M-F
Wavelength(s)	1.000008
Spacegroup name	P 41 21 2
Unit cell lengths	89.949, 89.949, 233.913
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.030 - 2.450
R-factor	0.1969
Rwork	0.195
R-free	0.23880
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.940
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX (1.17_3644)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.600
High resolution limit [Å]	2.450	2.450
Rmerge	0.154	2.621
Number of reflections	36214	5698
<I/σ(I)>	22.6	1.5
Completeness [%]	99.9	99.7
Redundancy	26.1	26.4
CC(1/2)	0.999	0.581

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1 M Na/K phosphate pH 7.5; 0.1 M HEPES pH 7.5; 15% v/v PEG Smear High; 10% v/v ethylene glycol