8ROE

Human cohesin SMC1A-HD(shortCC-EQ)/RAD21-C 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	2019-11-23
Detector	DECTRIS PILATUS 2M-F
Wavelength(s)	1.000002
Spacegroup name	I 2 2 2
Unit cell lengths	66.038, 113.835, 134.186
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.490 - 1.360
R-factor	0.2051
Rwork	0.204
R-free	0.21940
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.833
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	1.440
High resolution limit [Å]	1.360	1.360
Rmerge	0.067	2.855
Number of reflections	108065	17268
<I/σ(I)>	20.31	0.92
Completeness [%]	99.9	99.7
Redundancy	13.2	13.5
CC(1/2)	1.000	0.387

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.2 M sodium malonate; 0.1 M Bis Tris propane pH 6.5; 20 % w/v PEG 3350