6M5Z

Catalytic domain of GH30 xylanase C 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	2018-12-08
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9
Spacegroup name	P 1
Unit cell lengths	38.559, 52.305, 98.535
Unit cell angles	79.74, 88.60, 84.30

Refinement procedure

Resolution	49.010 - 1.650
Rwork	0.148
R-free	0.18110
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6iuj
RMSD bond length	0.011
RMSD bond angle	1.633
Data reduction software	XDS (0.82)
Data scaling software	XDS (0.82)
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.710
High resolution limit [Å]	1.650	1.650
Rmerge	0.073	0.633
Rmeas	0.087	0.748
Rpim	0.046	0.395
Number of reflections	87809	8491
<I/σ(I)>	11.8	2
Completeness [%]	96.8	93.5
Redundancy	3.5	3.5
CC(1/2)	0.998	0.703

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	293	14% PEG 8000, 100 mM MES, 200 mM calcium acetate