6BA1

Purine-Preferring Ribonucleoside Hydrolase from Gardnerella vaginalis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX1
Synchrotron site	Australian Synchrotron
Beamline	MX1
Temperature [K]	100
Detector technology	CCD
Collection date	2017-07-14
Detector	ADSC QUANTUM 210r
Wavelength(s)	0.9537
Spacegroup name	P 1 21 1
Unit cell lengths	163.270, 80.240, 223.820
Unit cell angles	90.00, 106.50, 90.00

Refinement procedure

Resolution	80.240 - 2.900
R-factor	0.2789
Rwork	0.279
R-free	0.28160
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4kpo
RMSD bond length	0.008
RMSD bond angle	1.266
Data reduction software	MOSFLM (7.2.1)
Data scaling software	Aimless (0.5.32)
Phasing software	PHASER (2.7.17)
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	80.240	80.240	2.950
High resolution limit [Å]	2.900	15.880	2.900
Rmerge	0.234	0.051	2.797
Rmeas	0.253	0.056	3.048
Rpim	0.095	0.023	1.189
Number of reflections	122214	823	5841
<I/σ(I)>	7.3
Completeness [%]	98.6	98.1	96.2
Redundancy	6.8	5.9	6
CC(1/2)	0.995	0.997	0.641

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	290	23% (w/v) PEG 4000 0.2M Magnesium Chloride 0.05M TRIS