8ROD

Human cohesin SMC1A-HD(shortCC-EQ)/RAD21-C complex - Open/closed P-loop 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	I 2 2 2
Unit cell lengths	66.112, 113.841, 134.472
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.550 - 1.500
R-factor	0.1995
Rwork	0.198
R-free	0.23150
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.831
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	1.590
High resolution limit [Å]	1.500	1.500
Rmerge	0.087	2.382
Number of reflections	81151	12901
<I/σ(I)>	17.87	1.08
Completeness [%]	99.9	99.4
Redundancy	13.2	12.8
CC(1/2)	1.000	0.432

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.2 M sodium sulfate; 20 % w/v PEG 3350