7MYF

Ubiquitin variant UbV.k.1 in complex with Ube2k

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-09-26
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.9537
Spacegroup name	I 1 2 1
Unit cell lengths	89.144, 37.792, 117.797
Unit cell angles	90.00, 98.27, 90.00

Refinement procedure

Resolution	37.892 - 3.000
R-factor	0.237
Rwork	0.234
R-free	0.29330
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5dfl
Data reduction software	XDS
Data scaling software	Aimless (0.7.4)
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	44.110	44.110	3.180
High resolution limit [Å]	2.990	8.980	2.990
Rmerge	0.170	0.088	0.829
Rmeas	0.191	0.100	0.933
Rpim	0.085	0.046	0.419
Total number of observations	36340	1415	5956
Number of reflections	7820	329	1285
<I/σ(I)>	6.2	14.2	1.9
Completeness [%]	96.3	98.9	98.3
Redundancy	4.6	4.3	4.6
CC(1/2)	0.991	0.993	0.683

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		289	0.2-0.3 M ammonium citrate dibasic, 20-25% PEG3350