5JKI

Crystal structure of the first transmembrane PAP2 type phosphatidylglycerolphosphate phosphatase from Bacillus subtilis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-04-05
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.21458
Spacegroup name	I 2 2 2
Unit cell lengths	70.066, 76.961, 99.629
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.480 - 2.250
R-factor	0.2022
Rwork	0.201
R-free	0.23110
Structure solution method	SAD
RMSD bond length	0.014
RMSD bond angle	0.859
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX ((1.10_2152))
Refinement software	PHENIX ((1.10_2152))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.480	2.320
High resolution limit [Å]	2.250	2.250
Rmerge	0.137	1.020
Number of reflections	13107
<I/σ(I)>	11.3	2.3
Completeness [%]	100.0	100
Redundancy	12.8	12.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE	7	293	40 %(v/v) PEG-400, 0.1 M HEPES pH 7, 0.1 M lithium citrate tribasic tetra hydrate 0.1M sodium tungstate