9K72

Crystal structure of TsaBgl using merged datasets

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	2019-11-24
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9794
Spacegroup name	P 21 21 21
Unit cell lengths	65.210, 71.120, 99.490
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	57.860 - 1.550
R-factor	0.2014
Rwork	0.201
R-free	0.23310
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.849
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	100.000	1.600
High resolution limit [Å]	1.550	1.550
Number of reflections	67418	7112
<I/σ(I)>	3.42
Completeness [%]	99.3
Redundancy	14.3
CC(1/2)	0.855	0.297

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293.5	Tris-HCl, PEG4000, MgCl2