6XOI

Structure of SUMO1-ML00752641 adduct bound to SAE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 31-ID
Synchrotron site	APS
Beamline	31-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2011-03-31
Detector	RAYONIX MX225HE
Wavelength(s)	0.9793
Spacegroup name	P 1 21 1
Unit cell lengths	58.224, 72.400, 127.407
Unit cell angles	90.00, 93.29, 90.00

Refinement procedure

Resolution	19.380 - 2.000
Rwork	0.239
R-free	0.28730
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1y8r
RMSD bond length	0.007
RMSD bond angle	1.500
Data reduction software	XDS
Data scaling software	XDS
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.380	2.071
High resolution limit [Å]	2.000	2.000
Rmerge	0.075	0.779
Number of reflections	69609	6478
<I/σ(I)>	12.96	1.7
Completeness [%]	95.6
Redundancy	3.7
CC(1/2)	0.996	0.660

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)