6JZ2

b-glucuronidase from Ruminococcus gnavus in complex with uronic isofagomine at 1.3 Angstroms resolution

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	2018-10-16
Detector	ADSC QUANTUM 210
Wavelength(s)	1
Spacegroup name	C 1 2 1
Unit cell lengths	163.236, 102.734, 112.714
Unit cell angles	90.00, 130.94, 90.00

Refinement procedure

Resolution	27.094 - 1.290
R-factor	0.1561
Rwork	0.156
R-free	0.16980
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5z18
RMSD bond length	0.006
RMSD bond angle	1.150
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	1.340
High resolution limit [Å]	1.286	2.780	1.290
Rmerge	0.045	0.024	0.621
Rmeas	0.050	0.027	0.696
Rpim	0.022	0.012	0.309
Number of reflections	66391	35216	32163
<I/σ(I)>	13
Completeness [%]	95.6	98.4	91.1
Redundancy	5.1	5.2	4.9
CC(1/2)		0.999	0.789

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