6JZ4

b-glucuronidase from Ruminococcus gnavus in complex with D-glucaro-d-lactam

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	161.210, 101.896, 111.299
Unit cell angles	90.00, 130.90, 90.00

Refinement procedure

Resolution	28.501 - 1.712
R-factor	0.1683
Rwork	0.168
R-free	0.20280
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.077
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	1.770
High resolution limit [Å]	1.710	3.680	1.710
Rmerge	0.062	0.026	0.690
Rmeas	0.070	0.029	0.795
Rpim	0.032	0.012	0.387
Total number of observations	696402
Number of reflections	178565	14659	14165
<I/σ(I)>	13.9
Completeness [%]	99.0	99.3	97.9
Redundancy	4.8	5.1	4.2
CC(1/2)		0.999	0.775

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