23AC

Crystal structure of TsaGH11

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	2022-12-22
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9794
Spacegroup name	P 43 21 2
Unit cell lengths	73.374, 73.374, 165.947
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	67.110 - 1.400
R-factor	0.1748
Rwork	0.174
R-free	0.18840
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.014
RMSD bond angle	1.237
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]	73.370	1.420
High resolution limit [Å]	1.400	1.400
Number of reflections	168435	3947
<I/σ(I)>	11.6
Completeness [%]	99.4
Redundancy	21.2
CC(1/2)	0.997	0.515

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.6	293	sodium acetate, ammonium acetate