6KKA

Xylanase J mutant from Bacillus sp. 41M-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	CCD
Collection date	2018-10-29
Detector	RAYONIX MX225HE
Wavelength(s)	1.00000
Spacegroup name	P 61 2 2
Unit cell lengths	125.436, 125.436, 318.154
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	49.250 - 2.360
R-factor	0.1849
Rwork	0.183
R-free	0.21350
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2dcj
RMSD bond length	0.008
RMSD bond angle	1.049
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.250	2.400
High resolution limit [Å]	2.360	2.360
Rmerge	0.075	0.572
Rmeas	0.080	0.614
Rpim	0.028	0.223
Number of reflections	61709	3001
<I/σ(I)>	36.65
Completeness [%]	99.9	100
Redundancy	8.1	7.5
CC(1/2)	0.997	0.858

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	HEPES, sodium citrate dehydrate, (+/-)2,4-pentanediol, ethylene glycol