8ROJ

Human cohesin SMC3-HD/RAD21-N complex - ADP-Mg-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	2019-11-22
Detector	DECTRIS PILATUS 2M-F
Wavelength(s)	1.000002
Spacegroup name	P 41 21 2
Unit cell lengths	89.706, 89.706, 234.645
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.270 - 3.000
R-factor	0.1995
Rwork	0.196
R-free	0.26350
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.080
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	3.180
High resolution limit [Å]	3.000	3.000
Rmerge	0.247	3.859
Number of reflections	19999	3141
<I/σ(I)>	16.53	1.11
Completeness [%]	99.9	99.6
Redundancy	26	26.9
CC(1/2)	0.999	0.431

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.075 M magnesium chloride; 0.075 M Sodium citrate tribasic dehydrate; 0.1 M Bis-Tris pH 6.0; 18% v/v PEG Smear Broad