8ROK

Human cohesin SMC3-HD(EQ)/RAD21-N complex - ATP-Mg-bound conformation - Form 1

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	C 2 2 21
Unit cell lengths	118.244, 154.459, 136.541
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.210 - 2.250
R-factor	0.2045
Rwork	0.202
R-free	0.25260
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.927
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	2.390
High resolution limit [Å]	2.250	2.250
Rmerge	0.098	2.233
Number of reflections	58135	8944
<I/σ(I)>	20.32	1.34
Completeness [%]	98.0	94.2
Redundancy	13.6	13.1
CC(1/2)	1.000	0.816

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.3 M NaCl; 0.05 M L-Arginine; 0.1 M Tris pH7.5; 22.5 % v/v PEG Smear Broad; 0.05 M L-Glutamic acid monosodium salt hydrate