5ELU

Isoform-specific inhibition of SUMO-dependent protein-protein interactions

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-09-26
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.98
Spacegroup name	P 21 21 21
Unit cell lengths	41.975, 42.264, 113.572
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.393 - 2.350
R-factor	0.1737
Rwork	0.172
R-free	0.20680
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB ENTRIES 1WM3 and 5ELJ
RMSD bond length	0.008
RMSD bond angle	1.028
Data reduction software	xia2
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	28.400	2.440
High resolution limit [Å]	2.350	2.350
Rmerge	0.043	0.110
Number of reflections	8893
<I/σ(I)>	29.4	11.1
Completeness [%]	99.6	96.9
Redundancy	5.9	4.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	291	0.1 M sodium cacodylate pH 6.5, 0.2 M sodium chloride and 2.0 M ammonium sulphate