6UYP

Crystal structure of K39-acetylated SUMO1 in complex with 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	2016-07-29
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.9795
Spacegroup name	P 21 21 21
Unit cell lengths	38.343, 47.436, 62.195
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.639 - 1.418
R-factor	0.1592
Rwork	0.158
R-free	0.17250
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4wjo
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]	32.640	1.469
High resolution limit [Å]	1.418	1.418
Rmerge	0.054
Rmeas	0.059
Rpim	0.024
Number of reflections	21894	2017
<I/σ(I)>	17.25
Completeness [%]	98.8
Redundancy	5.7
CC(1/2)	0.999	0.336

Crystallization Conditions

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