2JBZ

Crystal structure of the Streptomyces coelicolor holo-[Acyl-carrier-protein] Synthase (AcpS) in complex with coenzyme A at 1.6 A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SRS BEAMLINE PX10.1
Synchrotron site	SRS
Beamline	PX10.1
Temperature [K]	100
Detector technology	CCD
Collection date	2006-11-10
Detector	MARRESEARCH
Spacegroup name	P 21 3
Unit cell lengths	73.087, 73.087, 73.087
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	51.710 - 1.620
R-factor	0.189
Rwork	0.187
R-free	0.21500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	S. COELICOLOR APO- ACPS
RMSD bond length	0.011
RMSD bond angle	1.417
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.680
High resolution limit [Å]	1.620	1.620
Rmerge	0.080	0.330
Number of reflections	16798
<I/σ(I)>	18.88	2.15
Completeness [%]	90.7	69.3
Redundancy	6.1	1.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		6.5		THE PROTEIN WAS DIALYSED IN 50 MM TRIS, 10 MM MGCL2, 10% GLYCEROL, PH 8. 2.5 MM COA WAS SOAKED INTO THE PROTEIN. THE PROTEIN WAS THEN CRYSTALLYZED IN 0.3M KSCN, 15% PEG 4K, 0.1M NACACODYLATE PH 6.5.