9XWU

Crystal structure of E.coli CDP-diacylglycerol pyrophosphatase (Cdh) complexed with AMP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 5C (4A)
Synchrotron site	PAL/PLS
Beamline	5C (4A)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2025-09-10
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1.00003
Spacegroup name	P 1 21 1
Unit cell lengths	39.352, 80.047, 138.599
Unit cell angles	90.00, 94.61, 90.00

Refinement procedure

Resolution	46.050 - 2.002
Rwork	0.218
R-free	0.25280
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	1.772
Data scaling software	STARANISO
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0431)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.093	2.178
High resolution limit [Å]	2.002	2.002
Rmerge	0.170	1.169
Rmeas	0.183
Rpim	0.067	0.446
Number of reflections	19212	961
<I/σ(I)>	7.4
Completeness [%]	91.7	88.4
Redundancy	7.3	7.9
CC(1/2)	0.997	0.660

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293.15	0.1M HEPES (pH 7.5), 0.2M sodium chloride, 25% polyethylene glycol 3350