8HTF

Crystal structure of an effector in complex with ubiquitin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-01-26
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9785
Spacegroup name	P 1 21 1
Unit cell lengths	38.965, 75.107, 50.486
Unit cell angles	90.00, 99.47, 90.00

Refinement procedure

Resolution	49.798 - 2.151
R-factor	0.1752
Rwork	0.173
R-free	0.22340
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHENIX
Refinement software	PHENIX (1.14_3228)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.190
High resolution limit [Å]	2.150	5.830	2.150
Rmerge	0.112	0.092	0.301
Rmeas	0.122	0.101	0.330
Rpim	0.047	0.039	0.132
Total number of observations	99586
Number of reflections	15450	806	699
<I/σ(I)>	5.5
Completeness [%]	98.7	98.1	90.8
Redundancy	6.4	6.5	5.5
CC(1/2)		0.995	0.950

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, 25% glycerol