6KHX

Crystal structure of Prx from Akkermansia muciniphila

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-12-02
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9792
Spacegroup name	P 21 21 2
Unit cell lengths	132.733, 211.371, 92.802
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.095 - 2.580
R-factor	0.179
Rwork	0.177
R-free	0.21800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2i81
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MoRDa
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.690
High resolution limit [Å]	2.580	5.600	2.600
Rmerge	0.094	0.057	1.009
Rmeas	0.098	0.059	1.049
Rpim	0.027	0.017	0.282
Number of reflections	81798	8539	8092
<I/σ(I)>	7.9
Completeness [%]	99.4	98.9	99.7
Redundancy	13.3	13	13.3
CC(1/2)		0.997	0.880

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	289	0.1 M Sodium citrate pH 5.0, 0.06 M CaCl2, 30% MPD