6WZ7

Mn-bound structure of a TriCyt3 variant

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	140.978, 81.847, 53.385
Unit cell angles	90.00, 90.04, 90.00

Refinement procedure

Resolution	35.396 - 2.300
R-factor	0.1832
Rwork	0.180
R-free	0.21930
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2bc5
RMSD bond length	0.007
RMSD bond angle	0.891
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]	35.396	2.382
High resolution limit [Å]	2.300	2.300
Rmerge	0.063	0.344
Rmeas	0.075	0.410
Rpim	0.040	0.220
Number of reflections	26625	2615
<I/σ(I)>	13.95
Completeness [%]	98.3
Redundancy	3.4
CC(1/2)	1.000	0.863

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	298	45% MPD, 0.2 M calcium chloride, 0.1 M HEPES (pH 7.5)