6V7Q

Crystal structure of SUMO1 in complex with phosphorylated PIAS-SIM2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X25
Synchrotron site	NSLS
Beamline	X25
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-02-18
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.10
Spacegroup name	P 21 21 21
Unit cell lengths	38.315, 38.749, 121.242
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.910 - 1.350
R-factor	0.1721
Rwork	0.171
R-free	0.19590
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]	36.910	1.399
High resolution limit [Å]	1.350	1.350
Number of reflections	38573	2743
<I/σ(I)>	19.53
Completeness [%]	95.0
Redundancy	5.2
CC(1/2)	0.997	0.927

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.