8H4Z

Crystal structure of carboxyspermidine dehydrogenase from Helicobacter pylori in space group P21212

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 7A (6B, 6C1)
Synchrotron site	PAL/PLS
Beamline	7A (6B, 6C1)
Temperature [K]	100
Detector technology	CCD
Collection date	2022-04-30
Detector	ADSC QUANTUM 270
Wavelength(s)	0.9793
Spacegroup name	P 21 21 2
Unit cell lengths	128.875, 153.154, 97.739
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.980 - 2.200
R-factor	0.1865
Rwork	0.185
R-free	0.22220
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	AlphaFold 2-gerenated model
RMSD bond length	0.008
RMSD bond angle	0.900
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.15.2_3472)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.240
High resolution limit [Å]	2.200	2.200
Number of reflections	98370	4869
<I/σ(I)>	18.1	2.9
Completeness [%]	99.8	100
Redundancy	3.6	3.7
CC(1/2)	0.993	0.661

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	291	PEC 3350, calcium acetate hydrate, Tris