6Z2P

Crystal structure of catalytic inactive OgpA from Akkermansia muciniphila in complex with an O-glycopeptide (glycodrosocin) substrate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALBA BEAMLINE XALOC
Synchrotron site	ALBA
Beamline	XALOC
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-09-18
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.979181
Spacegroup name	I 4
Unit cell lengths	126.920, 126.920, 65.540
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.873 - 2.160
R-factor	0.2005
Rwork	0.199
R-free	0.23190
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6z2d
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.873	2.238
High resolution limit [Å]	2.160	2.160
Rmerge	0.026	0.433
Rmeas	0.037	0.612
Number of reflections	27920	2619
<I/σ(I)>	14.42	1.39
Completeness [%]	99.0	93.63
Redundancy	2	1.9
CC(1/2)	0.992	0.433

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	100 mM MIB pH 5.0 and 25% (w/v) PEG 1,500