5O6S

UbV.B4R, a dimeric ubiquitin variant binding to BIRC4 RING

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	110
Detector technology	PIXEL
Collection date	2016-04-16
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9795
Spacegroup name	I 1 2 1
Unit cell lengths	48.213, 71.669, 118.033
Unit cell angles	90.00, 94.97, 90.00

Refinement procedure

Resolution	58.790 - 2.900
R-factor	0.263
Rwork	0.261
R-free	0.30900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ubq
RMSD bond length	0.008
RMSD bond angle	1.060
Data reduction software	DIALS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	BUSTER (2.10.2)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	58.790	3.070
High resolution limit [Å]	2.900	2.900
Rmerge	0.169	0.523
Rpim	0.167	0.513
Number of reflections	8941	1423
<I/σ(I)>	3.7
Completeness [%]	99.4	99.3
Redundancy	2.9	2.9
CC(1/2)	0.966	0.725

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.6	292	(0.2 M Zinc acetate, 0.1 M phosphate-citrate pH 4.2, 40 % PEG 300