8GHH

Crystal structure of Staphylococcus aureus Lysophosphatidylglycerol phospholipase D

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-BM
Synchrotron site	APS
Beamline	22-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2022-09-18
Detector	RAYONIX MX300-HS
Wavelength(s)	1.0
Spacegroup name	I 4 2 2
Unit cell lengths	107.956, 107.956, 138.381
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.560 - 2.100
R-factor	0.1889
Rwork	0.188
R-free	0.21530
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.604
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.560	2.150
High resolution limit [Å]	2.100	2.100
Rmerge	0.079	0.881
Rmeas	0.081	0.903
Rpim	0.015	0.194
Number of reflections	24165	1485
<I/σ(I)>	26.2	2.8
Completeness [%]	100.0	99.7
Redundancy	28.6	20.9
CC(1/2)	0.999	0.894

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	Phosphate-citrate, sodium dihydrogen phosphate, dipotassium hydrogen phosphate