6LDC

Structure of Bifidobacterium dentium beta-glucuronidase complexed with C6-nonyl 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	92.659, 105.144, 160.967
Unit cell angles	90.00, 91.09, 90.00

Refinement procedure

Resolution	28.056 - 2.181
R-factor	0.1503
Rwork	0.150
R-free	0.17660
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3k46
RMSD bond length	0.007
RMSD bond angle	1.107
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	2.260
High resolution limit [Å]	2.180	4.690	2.180
Rmerge	0.050	0.027	0.168
Total number of observations	738778
Number of reflections	160237	16291	15991
<I/σ(I)>	15.2
Completeness [%]	99.9	99.8	99.9
Redundancy	4.6	4.5	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