7ERL

GH43 domain of bifunctional endoxylanase and arabinofuranosidase of Bi0569

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	CCD
Collection date	2020-01-21
Detector	AGILENT ATLAS CCD
Wavelength(s)	0.979
Spacegroup name	P 21 21 21
Unit cell lengths	73.790, 103.585, 167.768
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.488 - 1.893
R-factor	0.173777286973
Rwork	0.172
R-free	0.20253
Structure solution method	AB INITIO PHASING
RMSD bond length	0.008
RMSD bond angle	0.974
Data reduction software	cctbx.xfel
Data scaling software	HKL-3000
Phasing software	HKL-3000
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	10.000
High resolution limit [Å]	1.800	1.800
Number of reflections	102587	50
<I/σ(I)>	35.72
Completeness [%]	95.0
Redundancy	1
CC(1/2)	1.000	1.000

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		289.15	PEG3350 15% ,0.2M NH4CL,0.1M MES6.0