7CPL

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	52.085, 53.897, 127.413
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.930 - 1.520
R-factor	0.1359
Rwork	0.134
R-free	0.17240
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7cpk
RMSD bond length	0.005
RMSD bond angle	0.825
Data reduction software	XDS
Data scaling software	XDS
Phasing software	MOLREP
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.930	1.610
High resolution limit [Å]	1.520	1.520
Rmerge	0.052	0.377
Rmeas	0.056	0.414
Number of reflections	54780	8287
<I/σ(I)>	19.35	3.91
Completeness [%]	98.1
Redundancy	6.52
CC(1/2)	0.999	0.916

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