6NPS

Crystal structure of GH115 enzyme AxyAgu115A from Amphibacillus xylanus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-D
Synchrotron site	APS
Beamline	21-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-04-14
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.97913
Spacegroup name	P 1
Unit cell lengths	63.080, 96.210, 111.750
Unit cell angles	84.37, 78.37, 83.32

Refinement procedure

Resolution	47.638 - 1.990
R-factor	0.1496
Rwork	0.147
R-free	0.18960
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4zmh 4c90
RMSD bond length	0.012
RMSD bond angle	1.133
Data reduction software	X-Area
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.640	2.040
High resolution limit [Å]	1.990	1.990
Rmerge	0.102	0.534
Rpim	0.042	0.534
Number of reflections	165501	11805
<I/σ(I)>	14.1	3.9
Completeness [%]	94.6	90.8
Redundancy	11.9	3.9
CC(1/2)	0.999	0.820

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	298	20 mg/mL protein solution with 0.5 microL of reservoir solution 20% (w/v) PEG 3350, 0.2 M diammonium hydrogen citrate and 10 mM D-glucuronic acid