5Z18

The crystal structure of Ruminococcus gnavus beta-glucuronidase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE BL13B1
Synchrotron site	NSRRC
Beamline	BL13B1
Temperature [K]	100
Detector technology	CCD
Collection date	2014-11-25
Detector	ADSC QUANTUM 315r
Wavelength(s)	1
Spacegroup name	C 1 2 1
Unit cell lengths	181.868, 118.182, 210.355
Unit cell angles	90.00, 93.45, 90.00

Refinement procedure

Resolution	29.033 - 2.495
R-factor	0.1678
Rwork	0.167
R-free	0.20940
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.238
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	2.590
High resolution limit [Å]	2.495	5.380	2.500
Rmerge	0.093	0.052	0.410
Rmeas	0.109	0.062	0.474
Rpim	0.055	0.034	0.235
Number of reflections	151886	15228	15197
<I/σ(I)>	12.4
Completeness [%]	98.8	97.5	99.2
Redundancy	3.8	3.3	3.9
CC(1/2)		0.995	0.866

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277.15	100mM Sodium Citrate buffer, pH 4.3, 100mM Sodium Citrate salt, 22%(w/v) PEG3350