7DRK

Crystal structure of phosphatidylglycerol phosphate synthase in complex with cytidine diphosphate-diacylglycerol

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-05-23
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.97853
Spacegroup name	C 1 2 1
Unit cell lengths	127.781, 59.432, 73.027
Unit cell angles	90.00, 106.66, 90.00

Refinement procedure

Resolution	9.990 - 3.000
R-factor	0.2523
Rwork	0.250
R-free	0.29920
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7drj
RMSD bond length	0.004
RMSD bond angle	0.922
Data reduction software	XDS (Jan 31, 2020 Built=20200417)
Data scaling software	Aimless (CCP4-7.0.078)
Phasing software	PHASER (1.17.1_3660)
Refinement software	PHENIX ((1.17.1_3660: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.000	3.070
High resolution limit [Å]	2.890	2.890
Rmerge	0.174	1.118
Number of reflections	11858	2344
<I/σ(I)>	5.8	1.4
Completeness [%]	99.5	98.7
Redundancy	4.6	4.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE	5.5	293	15-26% (v/v) 1,4-butanediol, 0.2M zinc acetate, 0.1M imidazole/HCl (pH 5.0-7.5)