8H50

Crystal structure of carboxyspermidine dehydrogenase from Helicobacter pylori in space group C2221

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	C 2 2 21
Unit cell lengths	152.165, 160.646, 162.021
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.900 - 2.900
R-factor	0.1969
Rwork	0.195
R-free	0.23440
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	8h4z
RMSD bond length	0.006
RMSD bond angle	0.920
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	2.950
High resolution limit [Å]	2.900	2.900
Number of reflections	44580	2205
<I/σ(I)>	20.5	1.9
Completeness [%]	99.9	100
Redundancy	5.2	5.2
CC(1/2)	0.994	0.746

Crystallization Conditions

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