5GM9

Crystal structure of a glycoside hydrolase in complex with cellobiose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE BL15A1
Synchrotron site	NSRRC
Beamline	BL15A1
Temperature [K]	100
Detector technology	CCD
Collection date	2016-03-16
Detector	RAYONIX MX300HE
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	46.337, 54.315, 84.848
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.000 - 1.360
R-factor	0.1426
Rwork	0.141
R-free	0.16430
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1oa7
RMSD bond length	0.016
RMSD bond angle	1.602
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0123)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	25.000	25.000	1.410
High resolution limit [Å]	1.360	2.931	1.360
Rmerge	0.035	0.028	0.104
Number of reflections	46675
<I/σ(I)>	27.2
Completeness [%]	99.9	99.3	99.7
Redundancy	10.8	10.2	10.7
CC(1/2)		0.999	0.996

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	298	MgCl2, Tris-Cl, PEG4000