6JZ8

b-glucuronidase from Ruminococcus gnavus in complex with D-glucaro 1,5-lactone

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	2018-08-11
Detector	ADSC QUANTUM 210
Wavelength(s)	1
Spacegroup name	C 1 2 1
Unit cell lengths	162.560, 103.345, 112.281
Unit cell angles	90.00, 130.99, 90.00

Refinement procedure

Resolution	29.950 - 1.583
Rwork	0.163
R-free	0.17440
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5z19
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	1.640
High resolution limit [Å]	1.580	3.400	1.580
Rmerge	0.053	0.041	0.552
Rmeas	0.058	0.045	0.612
Rpim	0.023	0.018	0.261
Total number of observations	1120545
Number of reflections	183679	18778	17985
<I/σ(I)>	15.7
Completeness [%]	97.1	98	95.4
Redundancy	6.1	6.1	5.4
CC(1/2)		0.997	0.842

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