5Y3X

Crystal structure of endo-1,4-beta-xylanase from Caldicellulosiruptor owensensis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-10-02
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.97852
Spacegroup name	P 1 21 1
Unit cell lengths	126.650, 74.071, 137.744
Unit cell angles	90.00, 90.44, 90.00

Refinement procedure

Resolution	29.113 - 2.100
R-factor	0.1916
Rwork	0.190
R-free	0.22890
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4pmd
Phasing software	PHASER
Refinement software	PHENIX (1.11_2567)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.113	2.180
High resolution limit [Å]	2.100	2.100
Rmerge		0.491
Number of reflections	148527
<I/σ(I)>	15.3	2.5
Completeness [%]	99.9	99.6
Redundancy	6.5	5.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		294	5% Iso-Propanol, 2.2 M (NH4)2SO4