7E43

Structural insights into a bifunctional peptide methionine sulfoxide reductase MsrA/B fusion protein from Helicobacter pylori

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 11C
Synchrotron site	PAL/PLS
Beamline	11C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-07-14
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1.0
Spacegroup name	P 1
Unit cell lengths	52.125, 72.505, 82.230
Unit cell angles	93.16, 93.80, 111.08

Refinement procedure

Resolution	27.590 - 2.200
R-factor	0.1889
Rwork	0.188
R-free	0.21410
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3e0m
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	30.000	2.240
High resolution limit [Å]	2.200	5.960	2.200
Rmerge	0.063	0.048	0.179
Rmeas	0.074	0.057	0.223
Rpim	0.040	0.031	0.131
Total number of observations	163323
Number of reflections	53424	2565	2417
<I/σ(I)>	16.4
Completeness [%]	94.1	90.3	86.6
Redundancy	3.1	3.3	2.3
CC(1/2)		0.993	0.909

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.1 M sodium acetate pH 4.6 and 2.0 M sodium formate