9JR1

Crystal structure of CtpA from Helicobacter pylori

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE TPS 05A
Synchrotron site	NSRRC
Beamline	TPS 05A
Temperature [K]	100
Detector technology	CCD
Collection date	2019-03-25
Detector	RAYONIX MX300HE
Wavelength(s)	1.0000
Spacegroup name	P 1 21 1
Unit cell lengths	61.696, 229.087, 116.581
Unit cell angles	90.00, 101.26, 90.00

Refinement procedure

Resolution	27.140 - 3.400
R-factor	0.1952
Rwork	0.193
R-free	0.24970
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.669
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	27.140	3.520
High resolution limit [Å]	3.400	3.400
Number of reflections	41187	2714
<I/σ(I)>	14.3
Completeness [%]	94.6
Redundancy	3.4
CC(1/2)	0.990	0.708

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		289	100 mM bis-tris (pH 6.5), 100 mM magnesium chloride, 25% PEG 3350