9XWV

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

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	2024-10-25
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1.0003
Spacegroup name	P 1 21 1
Unit cell lengths	68.958, 54.088, 81.989
Unit cell angles	90.00, 93.14, 90.00

Refinement procedure

Resolution	42.530 - 1.940
R-factor	0.1881
Rwork	0.186
R-free	0.23500
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.111
Data scaling software	STARANISO
Phasing software	MOLREP
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	54.178	2.087
High resolution limit [Å]	1.940	1.945
Rmerge	0.136	1.300
Rmeas	0.152
Rpim	0.067	0.624
Number of reflections	32191	1610
<I/σ(I)>	7.1	1.4
Completeness [%]	89.2	52
Redundancy	4.9	4.9
CC(1/2)	0.994	0.501

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293.15	0.1M Tris (pH 8.5), 0.2M magnesium chloride hexahydrate, 25% polyethylene glycol 3350, 30% trimethylamine N-oxide dihydrate