8IGI

Crystal structure of HP1526 (XthA)- a base excision DNA repair protein in Helicobacter pylori

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE AR-NW12A
Synchrotron site	Photon Factory
Beamline	AR-NW12A
Temperature [K]	100
Detector technology	CCD
Collection date	2017-12-16
Detector	ADSC QUANTUM 270
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	72.096, 71.909, 108.033
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.050 - 1.840
R-factor	0.168
Rwork	0.167
R-free	0.19550
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.932
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.13-2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.050	1.870
High resolution limit [Å]	1.840	1.840
Rmerge	0.119	0.625
Number of reflections	49482	2445
<I/σ(I)>	7
Completeness [%]	100.0
Redundancy	7.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	18% (w/v) PEG 4K, 104 mM HEPES pH 7.5 with 1,3 butanediol