8XHU

Crystal structure of Helicobacter pylori IspDF

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-09-28
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97915
Spacegroup name	P 32 2 1
Unit cell lengths	145.266, 145.266, 138.907
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	35.900 - 2.400
R-factor	0.1996
Rwork	0.198
R-free	0.22300
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.930
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHENIX
Refinement software	PHENIX ((1.19.2_4158: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.440
High resolution limit [Å]	2.400	6.510	2.400
Rmerge	0.102	0.038	1.353
Rmeas	0.105	0.039	1.394
Rpim	0.023	0.009	0.329
Total number of observations	1320110
Number of reflections	66724	3551	3278
<I/σ(I)>	5.6
Completeness [%]	100.0	100	100
Redundancy	19.8	18.8	17.2
CC(1/2)	1.000	0.999	0.849

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.6	289	0.5 M ammonium sulfate, 1.0 M lithium sufate, 0.1 M sodium citrate tribasic dihydrate (pH 5.6)