6R7O

Crystal structure of the central region of human cohesin subunit STAG1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-04-14
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.92
Spacegroup name	P 21 21 2
Unit cell lengths	154.654, 166.718, 46.878
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	113.360 - 2.310
R-factor	0.2282
Rwork	0.226
R-free	0.26420
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4pk7
RMSD bond length	0.001
RMSD bond angle	0.375
Data reduction software	DIALS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	113.360	2.370
High resolution limit [Å]	2.310	2.310
Rmerge	0.086	0.903
Rpim	0.037	0.373
Number of reflections	54404	3991
<I/σ(I)>	11.2	1.9
Completeness [%]	100.0	100
Redundancy	6.4	6.7
CC(1/2)	0.999	0.632

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	277	0.1 M Bis Tris Propane pH 7.0, 0.2 M Sodium Malonate, 20 % PEG 3350, 10 % Ethylene Glycol