6WZ3

Cu-bound structure of the engineered protein trimer, TriCyt3

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-12-06
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.485500
Spacegroup name	C 1 2 1
Unit cell lengths	78.447, 81.205, 56.431
Unit cell angles	90.00, 92.92, 90.00

Refinement procedure

Resolution	39.182 - 1.800
R-factor	0.1905
Rwork	0.188
R-free	0.23600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2bc5
RMSD bond length	0.007
RMSD bond angle	0.801
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.14_3260: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.182	1.864
High resolution limit [Å]	1.800	1.800
Rmerge	0.034	0.281
Rmeas	0.041	0.344
Rpim	0.022	0.195
Number of reflections	61197	3241
<I/σ(I)>	22.13	3.16
Completeness [%]	94.9
Redundancy	3.2
CC(1/2)	0.999	0.891

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	298	25% PEG1500, 0.2 M MgCl2, 0.1 M BIS-TRIS (pH 5.5)