6LJA

Crystal Structure of exoHep from Bacteroides intestinalis DSM 17393 complexed with disaccharide product

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	2019-04-13
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9791
Spacegroup name	P 21 21 21
Unit cell lengths	59.475, 108.333, 128.685
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.768 - 1.978
R-factor	0.1482
Rwork	0.146
R-free	0.18510
Structure solution method	SAD
RMSD bond length	0.007
RMSD bond angle	1.052
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	AutoSol
Refinement software	PHENIX (1.8.1_1168)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	34.770	2.049
High resolution limit [Å]	1.978	1.978
Rmerge	0.101	0.309
Rmeas	0.110	0.110
Rpim	0.043	0.133
Number of reflections	58145	5338
<I/σ(I)>	15.17
Completeness [%]	98.8
Redundancy	6.4
CC(1/2)	0.981	0.981

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	293	16% (w/v) PEG 1500, 0.1 M MMT (DL-malic acid, MES, and Tris), pH 6.0