7B0H

TgoT_6G12 Ternary complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 1
Synchrotron site	SOLEIL
Beamline	PROXIMA 1
Temperature [K]	293
Detector technology	PIXEL
Collection date	2019-07-15
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.987
Spacegroup name	P 21 21 21
Unit cell lengths	111.823, 112.331, 186.518
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.920 - 3.150
R-factor	0.2327
Rwork	0.232
R-free	0.24720
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1tgo
RMSD bond length	0.005
RMSD bond angle	0.780
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	BUSTER (2.10.3 (20-MAY-2020))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.920	3.263
High resolution limit [Å]	3.150	3.150
Number of reflections	33317	1758
<I/σ(I)>	17.89
Completeness [%]	80.5
Redundancy	2.7
CC(1/2)	0.997	0.530

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	5% PEG 20K and 0.1M MES-NaOH pH 6.0