6Z2O

Crystal structure of wild type OgpA from Akkermansia muciniphila in P 21 21 21

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-05-16
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.170200
Spacegroup name	P 21 21 21
Unit cell lengths	65.379, 70.170, 94.668
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.632 - 1.649
R-factor	0.1915
Rwork	0.190
R-free	0.20930
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6z2d
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.632	1.708
High resolution limit [Å]	1.649	1.649
Rmerge	0.088	0.575
Rmeas	0.091	0.605
Number of reflections	52999	5089
<I/σ(I)>	16.95	3.29
Completeness [%]	99.7	97.03
Redundancy	12.6	10.5
CC(1/2)	0.998	0.183

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	100mM sodium imidazole/MES monohydrate pH 6.5, 100mM carboxylic acids mixture (sodium formate, ammonium acetate, sodium citrate tribasic dihydrate, sodium potassium tartrate tetrahydrate and sodium oxamate) and 50% (w/v) of precipitant mix based on 25% (w/v) MPD, 25% (w/v) PEG 1000 and 25% (w/v) PEG 3350 (Morpheus protein crystallization screen).