6QK9

A dimeric ubiquitin formed by a single amino acid substitution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	110
Detector technology	PIXEL
Collection date	2018-11-25
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.91587
Spacegroup name	P 21 21 21
Unit cell lengths	83.934, 87.262, 109.841
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.160 - 2.231
R-factor	0.2411
Rwork	0.239
R-free	0.28140
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3znz
RMSD bond length	0.010
RMSD bond angle	1.321
Data reduction software	xia2
Data scaling software	Aimless
Phasing software	MoRDa
Refinement software	PHENIX ((1.14_3260: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.160	2.290
High resolution limit [Å]	2.230	2.230
Rmerge	0.093	0.764
Rpim	0.058	0.485
Number of reflections	39807	2718
<I/σ(I)>	13.2	2
Completeness [%]	99.4	93.1
Redundancy	6.6	6.1
CC(1/2)	0.980	0.763

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	289	0.06 M Divalents (0.3M Magnesium chloride hexahydrate, 0.3M Calcium chloride dihydrate), 50% Precipitation mix 1 (40% v/v PEG 500 MME, 20 % w/v PEG 20000), 0.1 M MES pH 6.5