6KRN

Crystal structure of GH30 xylanase B from Talaromyces cellulolyticus expressed by Pichia pastoris in complex with aldotriuronic acid

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL44XU
Synchrotron site	SPring-8
Beamline	BL44XU
Temperature [K]	173
Detector technology	PIXEL
Collection date	2019-06-15
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9
Spacegroup name	P 21 21 21
Unit cell lengths	63.251, 78.700, 118.418
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.410 - 1.653
Rwork	0.170
R-free	0.18970
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6iuj
RMSD bond length	0.015
RMSD bond angle	1.704
Data reduction software	XDS
Data scaling software	XDS
Phasing software	MOLREP (11.6)
Refinement software	REFMAC (5.8.0253)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	33.410	1.712
High resolution limit [Å]	1.653	1.653
Rmerge	0.046	0.458
Rmeas	0.053	0.518
Rpim	0.024	0.239
Number of reflections	71087	7017
<I/σ(I)>	15.35	2.34
Completeness [%]	99.4	99.03
Redundancy	4.5	4.5
CC(1/2)	0.999	0.847

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.3	293	PEG 3350, HEPES, magnesium chloride