5ZH0

Crystal Structures of Endo-beta-1,4-xylanase II

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	48.403, 59.082, 69.926
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.799 - 1.080
R-factor	0.125
Rwork	0.125
R-free	0.13020
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2dfc
RMSD bond length	0.012
RMSD bond angle	1.622
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASES
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.800	1.119
High resolution limit [Å]	1.080	1.080
Number of reflections	86497	8537
<I/σ(I)>	17.9	3.6
Completeness [%]	99.9	99.88
Redundancy	1.9	1.8
CC(1/2)	0.997	0.774

Crystallization Conditions

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