4NUZ

Crystal structure of a glycosynthase mutant (D233Q) 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, 0.97870, 0.91837, 0.97951
Spacegroup name	P 21 21 21
Unit cell lengths	92.769, 96.388, 141.545
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.685 - 1.905
R-factor	0.1932
Rwork	0.192
R-free	0.23460
Structure solution method	MAD
RMSD bond length	0.016
RMSD bond angle	1.508
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELX
Refinement software	PHENIX (1.8.2_1309)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	3.280	2.010
High resolution limit [Å]	1.905	2.850	1.900
Number of reflections	98581
Completeness [%]	96.8	95.4	95.2

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