7DRJ

Crystal structure of phosphatidylglycerol phosphate synthase in complex with phosphatidylglycerol phosphate

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	2019-10-10
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.9793
Spacegroup name	C 1 2 1
Unit cell lengths	127.540, 59.376, 72.985
Unit cell angles	90.00, 106.18, 90.00

Refinement procedure

Resolution	31.460 - 2.500
R-factor	0.2143
Rwork	0.212
R-free	0.24900
Structure solution method	AB INITIO PHASING
RMSD bond length	0.002
RMSD bond angle	0.467
Data reduction software	XDS (Jan 31, 2020 Built=20200417)
Data scaling software	Aimless (CCP4-7.0.078)
Phasing software	Arcimboldo (CCP4-7.0.078)
Refinement software	PHENIX ((1.17.1_3660: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	33.650	33.650	2.590
High resolution limit [Å]	2.500	5.380	2.500
Rmerge	0.169	0.053	1.509
Rpim	0.074	0.023	0.691
Number of reflections	18069	1866	1743
<I/σ(I)>	8.4	23.5	1.1
Completeness [%]	98.6	98.2	96.5
Redundancy	5.9	5.6	5.5
CC(1/2)	0.997	0.999	0.485

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE	7.34	277	5-35% (v/v) 1,4-butanediol, 0.3M zinc acetate, 0.1M imidazole/HCl (pH 6.2-7.8)