6UYU

Crystal structure of K45-acetylated SUMO1 in complex with phosphorylated PML-SIM

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-06-13
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.9795
Spacegroup name	P 21 21 21
Unit cell lengths	38.536, 63.136, 91.378
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.010 - 1.660
R-factor	0.171
Rwork	0.169
R-free	0.18600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4wjn
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.14-3260_1496)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.014	1.717
High resolution limit [Å]	1.658	1.658
Number of reflections	25859	1821
<I/σ(I)>	12.68
Completeness [%]	95.1
Redundancy	6.2
CC(1/2)	0.999	0.999

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	100MM SODIUM CACODYLATE PH6.5, 16% PEG3350, 10MM CALCIUM CHLORIDE