5L6J

Uba1 in complex with Ub-MLN7243 covalent adduct

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-10-17
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9184
Spacegroup name	P 2 21 21
Unit cell lengths	72.476, 193.920, 230.219
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.680
R-factor	0.17375
Rwork	0.171
R-free	0.22398
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4nnj
RMSD bond length	0.018
RMSD bond angle	1.973
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000
High resolution limit [Å]	2.680	2.680
Rmerge		0.887
Number of reflections	91638
<I/σ(I)>	10.5
Completeness [%]	99.0
Redundancy	4.5
CC(1/2)	0.992

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	293	0.2M lithium sulfate, 0.1M bis-tris, 15% peg 3350