8YR6

Crystal structure of E. coli phosphatidylserine synthase complexed with 16:0/16:0 CDP-DG

This is a non-PDB format compatible entry.

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	2022-04-29
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1.000
Spacegroup name	I 2 3
Unit cell lengths	160.497, 160.497, 160.497
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.890 - 2.440
R-factor	0.21406
Rwork	0.212
R-free	0.24698
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	1.067
Data reduction software	xia2 (3.8.6)
Data scaling software	Aimless (0.7.15)
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0425)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.890	2.540
High resolution limit [Å]	2.440	2.440
Rmerge	0.256	5.209
Rmeas	0.260	5.276
Rpim	0.041	0.836
Total number of observations	1041621	113789
Number of reflections	25695	2868
<I/σ(I)>	11	1
Completeness [%]	100.0
Redundancy	40.5	39.7
CC(1/2)	0.998	0.483

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	297	0.1 M Lithium sulfate monohydrate, 0.1 M ADA pH 6.5, 12% polyethylene glycol, 2 % (w/v) 2-propanol, 0.5 %(w/v) DDM