6V7S

Crystal structure of K37-acetylated SUMO1 in complex with phosphorylated PIAS-SIM2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CHESS BEAMLINE F1
Synchrotron site	CHESS
Beamline	F1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-03-12
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.9775
Spacegroup name	P 21 21 21
Unit cell lengths	38.294, 38.457, 120.947
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	23.731 - 1.470
R-factor	0.1722
Rwork	0.171
R-free	0.19250
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6uyo
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.13-2998_1496)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	23.731	1.523
High resolution limit [Å]	1.470	1.470
Number of reflections	29982	2009
<I/σ(I)>	10.84
Completeness [%]	95.9
Redundancy	5.7
CC(1/2)	0.998	0.378

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	100 mM sodium cacodylate pH 6.5, 19 to 31 % (w/v) PEG3350 and 10 mM calcium chloride.