5DZE

Crystal Structure of the catalytic nucleophile mutant of VvEG16 in complex with cellotetraose

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	2014-10-09
Detector	RAYONIX MX-300
Wavelength(s)	0.9795
Spacegroup name	P 21 21 21
Unit cell lengths	45.150, 52.020, 83.060
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.087 - 0.970
R-factor	0.1231
Rwork	0.122
R-free	0.13670
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.624
Data scaling software	XDS (January 10, 2014)
Phasing software	PHASER
Refinement software	PHENIX (1.9-1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	44.087		1.000
High resolution limit [Å]	0.970	4.340	0.970
Rmerge	0.065	0.044	0.905
Rmeas	0.071	0.048	1.091
Total number of observations	693883
Number of reflections	111789	1458	5874
<I/σ(I)>	16.34	45.92	1.26
Completeness [%]	96.2	99.9	69
Redundancy	6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.9	277	5 mM DTT, 2 mM cellotetraose, 1 mM EDTA, 1.2 M K2HPO4, 0.8 M NaH2PO4