6BA0

Pyrimidine-specific 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	83.070, 79.360, 115.990
Unit cell angles	90.00, 99.62, 90.00

Refinement procedure

Resolution	61.870 - 2.030
R-factor	0.1879
Rwork	0.186
R-free	0.21840
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1mas
RMSD bond length	0.010
RMSD bond angle	1.387
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]	61.870	61.870	2.060
High resolution limit [Å]	2.030	11.120	2.030
Rmerge	0.198	0.076	0.942
Rmeas	0.213	0.082	1.021
Rpim	0.079	0.032	0.387
Number of reflections	96089	626	4701
<I/σ(I)>	8.5
Completeness [%]	99.9	98.7	99.2
Redundancy	7.1	6.1	6.6
CC(1/2)	0.992	0.995	0.648

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4	290	0.1M Sodium Acetate 0.2M Ammonium Sulfate 20% (w/v) PEG4000