5ZKZ

Crystal Structures of Mutant Endo-beta-1,4-xylanase II(Y77F) Complexed with Xylotriose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	80
Detector technology	CCD
Collection date	2018-01-20
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	49.195, 59.109, 69.709
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.083 - 1.300
R-factor	0.1731
Rwork	0.173
R-free	0.17570
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2dfc
RMSD bond length	0.015
RMSD bond angle	1.455
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]	45.083	1.346
High resolution limit [Å]	1.300	1.300
Rmerge	0.032	0.286
Number of reflections	50491	4934
<I/σ(I)>	13.99	2.51
Completeness [%]	99.5	98.62
Redundancy	5.8	3.1
CC(1/2)	0.999	0.803

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION	6	291	20% PEG 8000, 0.2M NaI, 0.1M MES