5DZF

Crystal Structure of the catalytic nucleophile mutant of VvEG16 in complex with a mixed-linkage glucan octasaccharide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Temperature [K]	100
Detector technology	CCD
Collection date	2014-12-11
Detector	RAYONIX MX300HE
Wavelength(s)	0.8266
Spacegroup name	P 43 21 2
Unit cell lengths	74.330, 74.330, 149.280
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.974 - 1.650
R-factor	0.1571
Rwork	0.155
R-free	0.20050
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1umz
Data scaling software	XDS (January 10, 2014)
Phasing software	PHASER (2.5.5)
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	42.974		1.590
High resolution limit [Å]	1.550	6.930	1.550
Rmerge	0.205	0.038	3.250
Rmeas	0.214	0.039	3.667
Total number of observations	738087
Number of reflections	60997	809	4159
<I/σ(I)>	10.85	52.35	0.41
Completeness [%]	99.2	99.3	93
Redundancy	12.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	277	5 mM DTT, 5 mM G3GGG3GGG, 0.5 mM GG3GGG3GGG, 1 mM EDTA, 0.1 M HEPES, 1.6 M (NH4)2SO4