6JZ3

b-glucuronidase from Ruminococcus gnavus in complex with uronic deoxynojirimycin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE BL13C1
Synchrotron site	NSRRC
Beamline	BL13C1
Temperature [K]	277
Detector technology	CCD
Collection date	2018-12-01
Detector	ADSC QUANTUM 210
Wavelength(s)	1
Spacegroup name	C 1 2 1
Unit cell lengths	162.501, 103.331, 112.213
Unit cell angles	90.00, 130.92, 90.00

Refinement procedure

Resolution	28.384 - 1.502
R-factor	0.1492
Rwork	0.149
R-free	0.16940
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.017
RMSD bond angle	1.642
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	1.550
High resolution limit [Å]	1.500	3.230	1.500
Rmerge	0.051	0.041	0.490
Rmeas	0.058	0.045	0.561
Rpim	0.026	0.020	0.270
Total number of observations	1038215
Number of reflections	221212	22319	22046
<I/σ(I)>	16.8
Completeness [%]	99.8	99.4	99.6
Redundancy	4.7	5.1	4.2
CC(1/2)		0.997	0.814

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	70% MPD, 0.1 M HEPES, pH 7.5, 0.2 M CaCl2