6KWD

Crystal Structure Analysis of Endo-beta-1,4-Xylanase II Complexed with Xylotriose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	80
Detector technology	CCD
Collection date	2018-11-07
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	47.598, 59.161, 69.604
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.730 - 1.298
R-factor	0.1511
Rwork	0.150
R-free	0.16280
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2dfc
RMSD bond length	0.009
RMSD bond angle	1.334
Data reduction software	XDS
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.12_2829)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	32.730	1.344
High resolution limit [Å]	1.298	1.298
Rmerge	0.108	0.108
Number of reflections	49040	4713
<I/σ(I)>	15.25
Completeness [%]	99.5
Redundancy	2.17

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION	6	291	PEG 8000, NaI, MES