8HTC

Crystal structure of a SeMet-labeled effector from Chromobacterium violaceum in complex with Ubiquitin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-01-11
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97934
Spacegroup name	P 1 21 1
Unit cell lengths	38.490, 74.460, 50.460
Unit cell angles	90.00, 99.11, 90.00

Refinement procedure

Resolution	41.409 - 2.200
R-factor	0.1945
Rwork	0.192
R-free	0.24680
Structure solution method	SAD
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	PHENIX (1.14_3228)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	41.409	41.409	2.260
High resolution limit [Å]	2.200	9.840	2.200
Rmerge	0.109	0.072	0.380
Rmeas	0.134	0.089	0.475
Total number of observations	74784
Number of reflections	27318	303	1807
<I/σ(I)>	6.21	11.26	2.3
Completeness [%]	97.3	97.4	86.2
Redundancy	2.738	2.667	2.476
CC(1/2)	0.987	0.989	0.773

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.25	289	100 mM sodium cacodylate, pH 6.25, 200 mM sodium acetate, 22% PEG 8000