25PT

Crystal structure of TsaBGL

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 11C
Synchrotron site	PAL/PLS
Beamline	11C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-11-20
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9794
Spacegroup name	P 1
Unit cell lengths	63.321, 72.774, 97.456
Unit cell angles	92.49, 91.33, 95.17

Refinement procedure

Resolution	72.400 - 1.650
R-factor	0.1956
Rwork	0.195
R-free	0.22640
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.665
Data reduction software	xia2
Data scaling software	xia2
Phasing software	MOLREP
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	72.400	1.680
High resolution limit [Å]	1.650	1.650
Number of reflections	355572	32116
<I/σ(I)>	5.6
Completeness [%]	87.9
Redundancy	3.7
CC(1/2)	0.992	0.371

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	Tris, polyethylene glycol 3350, MgCl2