6K9W

Crystal Structures 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	48.192, 59.526, 69.856
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.125 - 1.100
R-factor	0.1361
Rwork	0.136
R-free	0.14390
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2dfc
RMSD bond length	0.014
RMSD bond angle	1.818
Data reduction software	XDS
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.125	1.139
High resolution limit [Å]	1.100	1.100
Rmerge	0.029	0.029
Number of reflections	81794	8002
<I/σ(I)>	16.37
Completeness [%]	99.5
Redundancy	6.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION		277	20% PEG 8000, 0.2M NaI, 0.1M MES