4DXE

2.52 Angstrom resolution crystal structure of the acyl-carrier-protein synthase (AcpS)-acyl carrier protein (ACP) protein-protein complex from Staphylococcus aureus subsp. aureus COL

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-D
Synchrotron site	APS
Beamline	21-ID-D
Temperature [K]	100
Detector technology	CCD
Collection date	2012-02-09
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97928
Spacegroup name	P 1 21 1
Unit cell lengths	76.968, 102.961, 77.298
Unit cell angles	90.00, 115.87, 90.00

Refinement procedure

Resolution	28.820 - 2.510
R-factor	0.20257
Rwork	0.200
R-free	0.25449
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3F09 (AcpS) 1F80 (ACP)
RMSD bond length	0.007
RMSD bond angle	1.156
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.5.0102)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.560
High resolution limit [Å]	2.510	2.510
Rmerge	0.093	0.557
Number of reflections	36820
<I/σ(I)>	13.34	2.43
Completeness [%]	100.0	100
Redundancy	3.8	3.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	295	AcpS:ACP 1:1 molar ratio (0.33:0.33 mM) in 10 mM Tris-HCl pH 8.3, 0.5 M NaCl, 5 mM BME. The PACT suite B2 (#14: 0.1 M MIB buffer pH 5.0, 25 %(w/v) PEG1500), VAPOR DIFFUSION, SITTING DROP, temperature 295K