6JZ1

Apo structure of b-glucuronidase from Ruminococcus gnavus at 1.7 Angstrom 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	163.008, 103.128, 112.617
Unit cell angles	90.00, 130.96, 90.00

Refinement procedure

Resolution	29.710 - 1.730
R-factor	0.308
Rwork	0.116
R-free	0.19200
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 (19-1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	10.000	1.790
High resolution limit [Å]	1.730	3.730	1.730
Rmerge	0.062	0.034	0.564
Rmeas	0.072	0.039	0.657
Rpim	0.036	0.020	0.332
Total number of observations	566535
Number of reflections	144698	14339	14423
<I/σ(I)>	9.9
Completeness [%]	99.2	97	99.5
Redundancy	3.9	4	3.7
CC(1/2)		0.997	0.759

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