5Z1A

The crystal structure of Bacteroides fragilis beta-glucuronidase in complex with uronic isofagomine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE BL13B1
Synchrotron site	NSRRC
Beamline	BL13B1
Temperature [K]	100
Detector technology	CCD
Collection date	2017-07-01
Detector	ADSC QUANTUM 315r
Wavelength(s)	1
Spacegroup name	I 2 2 2
Unit cell lengths	80.253, 103.135, 199.147
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.399 - 1.859
R-factor	0.1545
Rwork	0.153
R-free	0.18970
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.251
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	30.000	1.930
High resolution limit [Å]	1.859	4.000	1.860
Rmerge	0.050	0.025	0.391
Rmeas	0.057	0.029	0.452
Rpim	0.028	0.015	0.222
Number of reflections	68429	6852	6704
<I/σ(I)>	14.5
Completeness [%]	98.3	94.6	97.2
Redundancy	4.2	3.8	3.8
CC(1/2)		0.998	0.914

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277.15	250mM DL-Malic acid, pH 7.0, 20%(w/v) PEG3350