4HK8

Crystal Structures of Mutant Endo- -1,4-xylanase II Complexed with substrate (1.15 A) and Products (1.6 A)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2012-06-28
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9793
Spacegroup name	P 21 2 21
Unit cell lengths	38.492, 45.526, 111.417
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	18.570 - 1.151
R-factor	0.1116
Rwork	0.111
R-free	0.12730
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.479
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.8_1069)

Data quality characteristics

	Overall
High resolution limit [Å]	1.150
Number of reflections	63877
Completeness [%]	90.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7	298	0.2 M Ammonium Citrate tribasic pH7.0, 20% PEG 3350, vapor diffusion, temperature 298K