6INX

Structural insights into a novel glycoside hydrolase family 18 N-acetylglucosaminidase from Paenibacillus barengoltzii

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-01-10
Detector	DECTRIS PILATUS3 R CdTe 300K
Wavelength(s)	0.979
Spacegroup name	C 1 2 1
Unit cell lengths	92.890, 76.300, 61.440
Unit cell angles	90.00, 126.79, 90.00

Refinement procedure

Resolution	38.150 - 1.429
R-factor	0.1822
Rwork	0.181
R-free	0.20300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5gzu
RMSD bond length	0.005
RMSD bond angle	0.841
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX ((dev_2474: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.150	1.429
High resolution limit [Å]	1.429	1.429
Rmerge		0.036
Rpim		0.016
Number of reflections	81007
<I/σ(I)>	9.023
Completeness [%]	97.1
Redundancy	6.5
CC(1/2)		0.997

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.07M sodium acetate trihydrate, 5.6% w/v polyethylene glycol 4000, 30% v/v glycerol