6RRK

Crystal structure of the central region of human cohesin subunit STAG1 in complex with RAD21 peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-10-22
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.968
Spacegroup name	P 1 21 1
Unit cell lengths	74.333, 86.290, 118.585
Unit cell angles	90.00, 95.36, 90.00

Refinement procedure

Resolution	60.229 - 3.170
R-factor	0.2215
Rwork	0.219
R-free	0.27830
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4pk7
RMSD bond length	0.002
RMSD bond angle	0.518
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]	69.670	3.390
High resolution limit [Å]	3.170	3.170
Rmerge	0.066	0.391
Rpim	0.046	0.265
Number of reflections	24764	4500
<I/σ(I)>	7.3	1.9
Completeness [%]	97.0	97.8
Redundancy	2.8	2.8
CC(1/2)	0.990	0.914

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	16 % PEG 3350, 0.2 M DL-Mallic acid