6KJL

Xylanase J from Bacillus sp. strain 41M-1

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	2018-11-03
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.90000
Spacegroup name	P 61 2 2
Unit cell lengths	125.940, 125.940, 318.570
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	45.000 - 2.450
R-factor	0.1705
Rwork	0.169
R-free	0.19750
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2dcj
RMSD bond length	0.008
RMSD bond angle	1.032
Data reduction software	XDS
Data scaling software	XDS
Phasing software	MOLREP
Refinement software	PHENIX (1.15_3459)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.395	2.600
High resolution limit [Å]	2.450	2.450
Rmerge	0.064	0.632
Rmeas	0.077	0.642
Number of reflections	55529	16645
<I/σ(I)>	13.3	2.06
Completeness [%]	98.6	99.5
Redundancy	2.59	3.09
CC(1/2)	0.997	0.698

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	HEPES, sodium citrate, 2-methyl-2,4-pentanediol, ethylene glycol