8XPC

Crystal structure of Tris-bound TsaBgl (DATA I)

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	2019-11-25
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9794
Spacegroup name	P 21 21 21
Unit cell lengths	64.752, 71.023, 98.873
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.440 - 1.550
R-factor	0.1494
Rwork	0.149
R-free	0.16870
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.896
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.580
High resolution limit [Å]	1.550	1.550
Number of reflections	65751	3021
<I/σ(I)>	16.89
Completeness [%]	98.5
Redundancy	7
CC(1/2)	0.990	0.644

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		295	Tris-HCl, polyethylene glycol 4000, MgCl2