8H52

Crystal structure of Helicobacter pylori carboxyspermidine dehydrogenase in complex with NADP

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	2022-03-18
Detector	ADSC QUANTUM 270
Wavelength(s)	0.9793
Spacegroup name	I 21 3
Unit cell lengths	194.077, 194.077, 194.077
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.950 - 3.100
R-factor	0.2041
Rwork	0.202
R-free	0.25050
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	8h4z
RMSD bond length	0.010
RMSD bond angle	1.068
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	3.150
High resolution limit [Å]	3.100	3.100
Number of reflections	22284	1118
<I/σ(I)>	18.1	1.3
Completeness [%]	100.0	100
Redundancy	15.1	14.3
CC(1/2)	0.993	0.325

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	291	ammonium sulfate, NaCl, Bis-Tris