8XPD

Crystal structure of Tris-bound TsaBgl (DATA II)

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	65.044, 70.950, 99.032
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.520 - 1.700
R-factor	0.1525
Rwork	0.151
R-free	0.17860
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.898
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	1.730
High resolution limit [Å]	1.700	1.700
Number of reflections	50620	2469
<I/σ(I)>	11.4
Completeness [%]	99.0
Redundancy	5.1
CC(1/2)	0.994	0.640

Crystallization Conditions

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