6LD0

Structure of Bifidobacterium dentium beta-glucuronidase complexed with C6-hexyl uronic isofagomine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE BL15A1
Synchrotron site	NSRRC
Beamline	BL15A1
Temperature [K]	110
Detector technology	CCD
Collection date	2013-10-05
Detector	RAYONIX MX300HE
Wavelength(s)	1
Spacegroup name	P 1 21 1
Unit cell lengths	92.914, 105.395, 162.293
Unit cell angles	90.00, 91.16, 90.00

Refinement procedure

Resolution	20.194 - 1.901
R-factor	0.2012
Rwork	0.201
R-free	0.23490
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3k46
RMSD bond length	0.004
RMSD bond angle	1.003
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.8.2_1309)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	30.000	1.970
High resolution limit [Å]	1.900	4.090	1.900
Rmerge	0.077	0.018	0.446
Rmeas	0.089	0.021	0.513
Rpim	0.044	0.011	0.250
Total number of observations	980607
Number of reflections	241740	24570	24343
<I/σ(I)>	9.5
Completeness [%]	98.7	98.8	99.8
Redundancy	4.1	3.8	4.1
CC(1/2)		0.999	0.881

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	298	0.1 M sodium cacodylate, pH 6.5, 8% w/v PEG 20K