8RZJ

ZgGH129 from Zobellia galactanivorans in complex with the inhibitor ADG-IF (3,6-anhydro-D-galacto-isofagomine).

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 1
Synchrotron site	SOLEIL
Beamline	PROXIMA 1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-02-01
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9801
Spacegroup name	C 1 2 1
Unit cell lengths	218.781, 106.120, 164.695
Unit cell angles	90.00, 113.92, 90.00

Refinement procedure

Resolution	47.380 - 1.990
R-factor	0.1555
Rwork	0.154
R-free	0.18510
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.183
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	PHENIX (1.16-3549)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.220	2.090
High resolution limit [Å]	1.990	1.990
Rmeas	0.155	1.168
Number of reflections	232909	32888
<I/σ(I)>	8.3	1.6
Completeness [%]	98.3	95.3
Redundancy	7	7
CC(1/2)	0.995	0.689

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	1.63 mg/ml 2:1 ratio 0.14M Na/K-tartrate, 14% PEG 3350