4NUY

Crystal structure of EndoS, an endo-beta-N-acetyl-glucosaminidase from Streptococcus pyogenes

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	100
Detector technology	CCD
Collection date	2013-07-19
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.979340
Spacegroup name	P 21 21 21
Unit cell lengths	92.388, 94.650, 142.920
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.285 - 2.609
R-factor	0.2151
Rwork	0.213
R-free	0.26250
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.607
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.8.2_1309)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	4.470	2.760
High resolution limit [Å]	2.609	3.890	2.100
Number of reflections	38371
Completeness [%]	98.8	99	90.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIQUID DIFFUSION		298	Crystals were grown through liquid-liquid diffusion using the Crystal Former from Microlytic, 20% polyethylene glycol (PEG) 3350, 0.2 M Lithium acetate at 298 K , LIQUID DIFFUSION