5OPZ

Crystal structure of Serratia marcescens L-Ala D-Glu endopeptidase ChiX

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-12-12
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.977
Spacegroup name	P 1 21 1
Unit cell lengths	40.627, 55.531, 51.780
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	51.780 - 1.340
R-factor	0.09083
Rwork	0.089
R-free	0.12013
RMSD bond length	0.013
RMSD bond angle	1.659
Data reduction software	XDS
Data scaling software	Aimless (1.9.33)
Phasing software	REFMAC (5.8.0124)
Refinement software	REFMAC (5.8.0124)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	55.530	1.360
High resolution limit [Å]	1.340	1.340
Rmerge	0.084	0.523
Rpim	0.052	0.340
Number of reflections	50019	1385
<I/σ(I)>	6.7	2.3
Completeness [%]	90.5	50.4
Redundancy	6.9	6.1
CC(1/2)	0.998	0.829

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	0.1 M tris HCl pH 7.5 0.14 M trimethylamine-N-oxide 16% (w/v) polyethylene glycol monomethyl ether 2000