6KRL

Crystal structure of GH30 xylanase B from Talaromyces cellulolyticus expressed by Pichia pastoris

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	2019-01-24
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9
Spacegroup name	P 21 21 21
Unit cell lengths	63.337, 78.765, 117.839
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.140 - 1.601
Rwork	0.172
R-free	0.19840
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6iuj
RMSD bond length	0.008
RMSD bond angle	1.483
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]	43.144	1.658
High resolution limit [Å]	1.601	1.601
Rmerge	0.093	0.801
Rpim	0.039	0.332
Number of reflections	78001	7458
<I/σ(I)>	11.8	2
Completeness [%]	99.6	96.61
Redundancy	6.7	6.8
CC(1/2)	0.996	0.660

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	PEG 3350, HEPES, magnesium chloride