8XRU

The crystal structure of a GH3 enzyme CcBgl3B with glycerol

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-06-30
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97775
Spacegroup name	C 1 2 1
Unit cell lengths	162.992, 182.048, 145.284
Unit cell angles	90.00, 102.01, 90.00

Refinement procedure

Resolution	19.850 - 2.020
R-factor	0.2057
Rwork	0.205
R-free	0.23540
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.960
Refinement software	PHENIX ((1.18.2_3874: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.850	2.050
High resolution limit [Å]	2.020	2.020
Rmerge	0.073	0.628
Number of reflections	266952	12448
<I/σ(I)>	9.2
Completeness [%]	98.9
Redundancy	3.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	PEG