6XOG

Structure of SUMO1-ML786519 adduct bound to SAE

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	CCD
Collection date	2013-05-29
Detector	RAYONIX MX-300
Wavelength(s)	0.97949
Spacegroup name	P 1 21 1
Unit cell lengths	57.900, 72.422, 126.870
Unit cell angles	90.00, 93.86, 90.00

Refinement procedure

Resolution	47.702 - 1.980
Rwork	0.206
R-free	0.24000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1y8r
RMSD bond length	0.009
RMSD bond angle	1.617
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.702	2.050
High resolution limit [Å]	1.980	1.980
Number of reflections	71980	7068
<I/σ(I)>	25.7	2.37
Completeness [%]	98.5	97.15
Redundancy	3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293	50 mM BisTris, pH 6.5, 50 mM Ammonium Sulfate, 30% pentaerythritol ethoxylate (Hampton Index 57)