6IUJ

Crystal structure of GH30 xylanase B from Talaromyces cellulolyticus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL44XU
Synchrotron site	SPring-8
Beamline	BL44XU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-05-13
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9
Spacegroup name	P 21 21 21
Unit cell lengths	83.172, 114.948, 118.461
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.250 - 2.250
R-factor	0.16795
Rwork	0.166
R-free	0.20194
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5cxp
RMSD bond length	0.006
RMSD bond angle	1.492
Data reduction software	XDS
Data scaling software	XDS
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.260	2.280
High resolution limit [Å]	2.250	2.250
Rmerge	0.105	0.731
Number of reflections	54785	2649
<I/σ(I)>	15.1	3.2
Completeness [%]	99.8	98.5
Redundancy	6.8	6.2
CC(1/2)	0.998	0.819

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.1	293	30% PEG 4000, 0.1 M Tris-HCl, 200 mM sodium acetate