6LJL

Crystal Structure of exoHep-Y390A/H555A complexed with a tetrasaccharide substrate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	100
Detector technology	CCD
Collection date	2019-10-20
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9791
Spacegroup name	P 21 21 21
Unit cell lengths	59.459, 107.851, 129.434
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	82.860 - 1.730
R-factor	0.1661
Rwork	0.164
R-free	0.20280
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6lja
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	82.860	1.830
High resolution limit [Å]	1.730	1.730
Rmerge	0.059	0.329
Rmeas	0.062	0.363
Rpim	0.018	0.149
Number of reflections	72171	7702
<I/σ(I)>	22.23	3.02
Completeness [%]	82.9
Redundancy	10.5
CC(1/2)	0.999	0.933

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	23% PEG 1500, 100mM MMT (DL-malic acid, MES, and Tris), pH 6.5