8ROH

Human cohesin SMC3-HD(EQ)/RAD21-N complex - Apo 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	2020-08-28
Detector	DECTRIS PILATUS 2M-F
Wavelength(s)	1.000031
Spacegroup name	P 41 21 2
Unit cell lengths	90.789, 90.789, 236.872
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.600 - 2.600
R-factor	0.2183
Rwork	0.216
R-free	0.25470
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.899
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX (1.19rc4_4035)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.760
High resolution limit [Å]	2.600	2.600
Rmerge	0.280	3.842
Number of reflections	31414	4948
<I/σ(I)>	14.93	1.02
Completeness [%]	99.9	99.7
Redundancy	26.2	25.7
CC(1/2)	0.999	0.366

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.21M NaSO4 ; 0.1M Bis-tris propane pH 7; 16% w/v PEG3350