7CPK

Xylanase R from Bacillus sp. TAR-1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL26B1
Synchrotron site	SPring-8
Beamline	BL26B1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-02-02
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.00000
Spacegroup name	P 21 21 21
Unit cell lengths	52.920, 56.240, 126.650
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.870 - 1.600
R-factor	0.1453
Rwork	0.143
R-free	0.19010
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2uwf
RMSD bond length	0.005
RMSD bond angle	0.785
Data reduction software	XDS (ver. Jan 31, 2020)
Data scaling software	XDS (ver. Jan 31, 2020)
Phasing software	MOLREP (ver. 11.7.01)
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	36.870	1.690
High resolution limit [Å]	1.600	1.600
Rmerge	0.052	0.412
Rmeas	0.056	0.454
Number of reflections	49937	7146
<I/σ(I)>	21.09	3.23
Completeness [%]	98.0
Redundancy	7.07
CC(1/2)	0.999	0.894

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.4	293	20mM calcium chloride, 100mM sodium acetate, 30% v/v 2-methyl-2,4-pentanediol