6LDB

Structure of Bifidobacterium dentium beta-glucuronidase complexed with 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	92.690, 104.640, 160.504
Unit cell angles	90.00, 91.29, 90.00

Refinement procedure

Resolution	24.852 - 1.651
R-factor	0.1558
Rwork	0.156
R-free	0.18320
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3k46
RMSD bond length	0.013
RMSD bond angle	1.288
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.10_2155)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	30.000	1.710
High resolution limit [Å]	1.650	3.550	1.650
Rmerge	0.046	0.025	0.353
Rmeas	0.054	0.030	0.418
Rpim	0.029	0.016	0.221
Total number of observations	1151120
Number of reflections	343510	36263	32953
<I/σ(I)>	20.9
Completeness [%]	93.8	97.7	90.4
Redundancy	3.4	3.4	3.3
CC(1/2)		0.998	0.888

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