7SCI

AM0627 metallopeptidase from Akkermansia muciniphila

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-09-15
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97946
Spacegroup name	P 65
Unit cell lengths	101.564, 101.564, 114.626
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.960 - 1.900
R-factor	0.1713
Rwork	0.170
R-free	0.20230
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5kd5
RMSD bond length	0.014
RMSD bond angle	1.552
Data reduction software	XDS
Data scaling software	SCALA (3.3.22)
Phasing software	PHASER
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	87.957	38.209	2.000
High resolution limit [Å]	1.900	6.010	1.900
Rmerge		0.054	0.738
Rmeas	0.118	0.060	0.855
Rpim	0.052	0.026	0.425
Total number of observations	258687	8695	29643
Number of reflections	52780	1715	7675
<I/σ(I)>	8.9	22.1	1.6
Completeness [%]	99.9	99.5	99.8
Redundancy	4.9	5.1	3.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		295	PEG 4000, glycerol, HEPES/MOPS, alcohols