7PUL

Crystal structure of Endoglycosidase E GH20 domain from Enterococcus faecalis

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	2020-02-08
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9686
Spacegroup name	P 1 21 1
Unit cell lengths	39.298, 57.046, 69.525
Unit cell angles	90.00, 92.97, 90.00

Refinement procedure

Resolution	44.077 - 1.400
R-factor	0.1591
Rwork	0.158
R-free	0.18290
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3rpm
RMSD bond length	0.041
RMSD bond angle	0.945
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX ((1.12_2829: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.080	1.450
High resolution limit [Å]	1.400	1.400
Rmerge	0.077	0.244
Rmeas	0.093	0.295
Number of reflections	60346	6021
<I/σ(I)>	11.92	2.12
Completeness [%]	99.7	99.52
Redundancy	3.2	3
CC(1/2)	0.991	0.894

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	100 mM bicine/Trizma base pH 8.5, 30 mM magnesium chloride hexahydrate, 30 mM calcium chloride dihydrate, 12.5% w/v PEG 1000, 12.5% PEG w/v 3350, 12.5% v/v MPD