6SMK

Crystal structure of catalytic domain A109H mutant of prophage-encoded M23 protein EnpA from Enterococcus faecalis.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-09-06
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.911600
Spacegroup name	P 65 2 2
Unit cell lengths	136.469, 136.469, 325.040
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	49.246 - 2.997
R-factor	0.2263
Rwork	0.225
R-free	0.25880
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3slu
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	49.246	49.246	3.180
High resolution limit [Å]	2.997	8.860	3.000
Rmerge	0.211	0.039	2.930
Rmeas	0.216	0.041	2.997
Number of reflections	36807	1622	5779
<I/σ(I)>	15.58	63.43	1.05
Completeness [%]	99.8	99	99.2
Redundancy	21.806	17.894	22.548
CC(1/2)	0.999	0.999	0.434

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7	291	0.8M succinic acid, pH 7.0