8K6W

dUTPase of helicobacter pylori 26695

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID30B
Synchrotron site	ESRF
Beamline	ID30B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-11-21
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9791
Spacegroup name	P 63
Unit cell lengths	102.360, 102.360, 78.370
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	58.700 - 2.500
Rwork	0.175
R-free	0.23840
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3mbq
RMSD bond length	0.006
RMSD bond angle	1.339
Data reduction software	iMOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	58.700	2.600
High resolution limit [Å]	2.500	2.500
Number of reflections	16291	1837
<I/σ(I)>	18.7
Completeness [%]	100.0
Redundancy	46.3
CC(1/2)	0.990	0.833

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		289	MORPHEUS H4 condition:0.1 M Amino acid mix, 0.1 M buffer system pH 6.5, 50% V/V precipitant mix 4