6RRC

Crystal structure of the N-terminal region of human cohesin subunit STAG1 in complex with RAD21 peptide

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	2018-10-05
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.92
Spacegroup name	C 2 2 2
Unit cell lengths	117.077, 151.662, 126.656
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	74.792 - 2.370
R-factor	0.2154
Rwork	0.214
R-free	0.24830
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4pk7
RMSD bond length	0.002
RMSD bond angle	0.386
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]	75.830	2.410
High resolution limit [Å]	2.370	2.370
Rmerge	0.057	1.325
Rpim	0.024	0.543
Number of reflections	46073	2213
<I/σ(I)>	14	1.2
Completeness [%]	99.9	97.9
Redundancy	6.6	6.9
CC(1/2)	0.999	0.705

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.3	277	2.1 M Ammonium Sulfate, 0.1 M MES pH 6.3