6X8X

Cu-bound structure of an engineered metal-dependent protein trimer, TriCyt1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.1
Synchrotron site	ALS
Beamline	5.0.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-09-21
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.977410
Spacegroup name	P 3 2 1
Unit cell lengths	82.172, 82.172, 48.072
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	39.840 - 2.505
R-factor	0.2909
Rwork	0.285
R-free	0.34220
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2bc5
RMSD bond length	0.010
RMSD bond angle	1.061
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]	39.840	2.595
High resolution limit [Å]	2.505	2.505
Rmerge	0.042	0.208
Rmeas	0.043	0.213
Rpim	0.010	0.047
Number of reflections	12469	2010
<I/σ(I)>	53.1
Completeness [%]	99.5	99.9
Redundancy	19.5	20
CC(1/2)	1.000	0.997

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	298	25% PEG2000, 200 mM CaCl2, 100 mM TRIS (pH 8.5)