8HTE

Crystal structure of an effector mutant in complex with ubiquitin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-06-30
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97930
Spacegroup name	P 21 21 21
Unit cell lengths	59.074, 70.478, 90.562
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.840 - 2.307
R-factor	0.1742
Rwork	0.171
R-free	0.22780
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	2.340
High resolution limit [Å]	2.300	6.240	2.300
Rmerge	0.107	0.039	0.445
Rmeas	0.123	0.045	0.502
Rpim	0.058	0.022	0.230
Total number of observations	73589
Number of reflections	17106	966	850
<I/σ(I)>	3.9
Completeness [%]	99.3	99.2	99.6
Redundancy	4.3	3.7	4.6
CC(1/2)		0.999	0.891

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	289	100 mM BIS-TRIS propane, pH 7.0, and 1.5 M ammonium sulfate