6WYU

Crystallographic trimer of metal-free TriCyt2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.3.1
Synchrotron site	ALS
Beamline	8.3.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-03-15
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.953680
Spacegroup name	P 1 21 1
Unit cell lengths	48.258, 79.753, 50.785
Unit cell angles	90.00, 105.06, 90.00

Refinement procedure

Resolution	40.245 - 1.760
R-factor	0.171
Rwork	0.170
R-free	0.19050
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2bc5
RMSD bond length	0.008
RMSD bond angle	0.896
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]	40.245	1.823
High resolution limit [Å]	1.760	1.760
Rmerge	0.416	0.416
Rmeas	0.451	0.451
Rpim	0.173	0.173
Number of reflections	36758	3676
<I/σ(I)>	3.05	2.4
Completeness [%]	99.7	99.95
Redundancy	6.3	6.3
CC(1/2)	0.918	0.930

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	298	43% MPD, 0.2 M (NH4)2SO4, 0.1 M Tris (pH 8.5)