6LFZ

Crystal structure of SbCGTb in complex with UDPG

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-06-17
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97930
Spacegroup name	C 2 2 21
Unit cell lengths	107.287, 216.953, 104.705
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.159 - 2.866
R-factor	0.2193
Rwork	0.218
R-free	0.25440
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6l5p
Data reduction software	DENZO
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	36.159	2.950
High resolution limit [Å]	2.866	2.866
Rpim	0.089	0.661
Number of reflections	28244	3473
<I/σ(I)>	4.4
Completeness [%]	99.3	84.7
Redundancy	12.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	0.05 M calcium chloride,0.05 M barium chloride,0.1 M Tris,32 % v/v PEG 400, 0.01 M GSH (L-Glutathione reduced), 0.01 M GSSG (L Glutathione oxidized)