8ROB

Human cohesin SMC1A-HD(longCC-EQ)/RAD21-C complex - ATPgS-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	2018-06-22
Detector	DECTRIS PILATUS 2M-F
Wavelength(s)	1.000030
Spacegroup name	P 41 21 2
Unit cell lengths	68.923, 68.923, 215.327
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.745 - 2.502
R-factor	0.225
Rwork	0.221
R-free	0.29860
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.024
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.650
High resolution limit [Å]	2.502	2.502
Rmerge	0.126	4.219
Number of reflections	18516	2932
<I/σ(I)>	19.14	0.84
Completeness [%]	98.4	98.5
Redundancy	24.7	24.9
CC(1/2)	1.000	0.538

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1 M MMT pH 7.0; 25% w/v PEG 1500