9DCQ

Bacteroides cellulosyliticus GH13_46 (BcGH13A)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	CCD
Collection date	2019-10-08
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.979
Spacegroup name	I 4 2 2
Unit cell lengths	254.030, 254.030, 78.260
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.460 - 2.360
R-factor	0.21214
Rwork	0.210
R-free	0.25093
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.676
Data reduction software	xia2
Data scaling software	xia2
Phasing software	MoRDa
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.500	2.410
High resolution limit [Å]	2.360	2.360
Rmerge	0.135	1.322
Number of reflections	52512	2859
<I/σ(I)>	7.58
Completeness [%]	99.7
Redundancy	4.1
CC(1/2)	0.994	0.352

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	2.0 or 2.1 M sodium/potassium phosphate, 50mM NaCl, pH 6.9