6JZ5

b-glucuronidase from Ruminococcus gnavus in complex with D-glucuronic acid

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	2018-10-17
Detector	ADSC QUANTUM 210
Wavelength(s)	1
Spacegroup name	C 1 2 1
Unit cell lengths	162.549, 103.178, 112.460
Unit cell angles	90.00, 130.99, 90.00

Refinement procedure

Resolution	29.687 - 1.580
R-factor	0.1543
Rwork	0.154
R-free	0.17040
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5z19
RMSD bond length	0.007
RMSD bond angle	1.071
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]	1.579	3.400	1.580
Rmerge	0.068	0.039	0.402
Rmeas	0.075	0.043	0.449
Rpim	0.032	0.019	0.197
Number of reflections	313298	19151	18814
<I/σ(I)>	11
Completeness [%]	99.6	98.8	98.9
Redundancy	5	4.7	4.8
CC(1/2)		0.997	0.902

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