6LDD

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE BL13C1
Synchrotron site	NSRRC
Beamline	BL13C1
Temperature [K]	110
Detector technology	CCD
Collection date	2013-08-01
Detector	ADSC QUANTUM 315r
Wavelength(s)	1
Spacegroup name	P 1 21 1
Unit cell lengths	92.557, 105.623, 161.987
Unit cell angles	90.00, 91.30, 90.00

Refinement procedure

Resolution	29.583 - 2.205
R-factor	0.1536
Rwork	0.153
R-free	0.19220
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3k46
RMSD bond length	0.005
RMSD bond angle	0.995
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	2.280
High resolution limit [Å]	2.200	4.730	2.200
Rmerge	0.080	0.036	0.420
Total number of observations	722951
Number of reflections	155860	15869	15511
<I/σ(I)>	9
Completeness [%]	99.9	99.9	100
Redundancy	4.6	4.6	4.6

Crystallization Conditions

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