8CSE

WbbB in complex with alpha-Rha-(1-3)-beta-GlcNAc acceptor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08B1-1
Synchrotron site	CLSI
Beamline	08B1-1
Temperature [K]	100
Detector technology	CCD
Collection date	2019-02-23
Detector	RAYONIX MX300HE
Wavelength(s)	0.97950
Spacegroup name	C 2 2 21
Unit cell lengths	92.380, 158.020, 117.580
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.760 - 2.300
R-factor	0.1702
Rwork	0.167
R-free	0.22540
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5fa1
RMSD bond length	0.011
RMSD bond angle	1.105
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.19_4092)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.760	2.350
High resolution limit [Å]	2.300	2.300
Rpim		0.820
Number of reflections	38441	2366
<I/σ(I)>	16
Completeness [%]	99.7
Redundancy	6.2
CC(1/2)		0.792

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	1.1 M sodium malonate, 100 mM HEPES, and 0.5 % Jeffamine ED-2001 5 mM CMP, 5mM acceptor