6WZ1

Mn-bound structure of an engineered protein trimer, TriCyt3

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-03-09
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.771140
Spacegroup name	P 1 21 1
Unit cell lengths	46.759, 77.392, 47.940
Unit cell angles	90.00, 110.70, 90.00

Refinement procedure

Resolution	34.789 - 1.999
R-factor	0.1812
Rwork	0.176
R-free	0.22920
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2bc5
RMSD bond length	0.009
RMSD bond angle	1.040
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]	34.789	2.071
High resolution limit [Å]	1.999	1.999
Rmerge	0.079	0.233
Rmeas	0.086	0.254
Rpim	0.033	0.099
Number of reflections	21269	2105
<I/σ(I)>	18.9	8.26
Completeness [%]	98.1
Redundancy	6.6
CC(1/2)	0.997	0.980

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	298	30% PEG 400, 0.2 M CaCl2, 0.1 M BIS-TRIS (pH 6.5)