1F7L

HOLO-(ACYL CARRIER PROTEIN) SYNTHASE IN COMPLEX WITH COENZYME A AT 1.5A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X12C
Synchrotron site	NSLS
Beamline	X12C
Temperature [K]	100
Detector technology	CCD
Collection date	1999-05-30
Detector	ADSC QUANTUM 4
Spacegroup name	H 3
Unit cell lengths	55.820, 55.820, 92.288
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	500.000 - 1.500
R-factor	0.185 *
Rwork	0.185
R-free	0.20100
Structure solution method	MAD and molecular replacement
Starting model (for MR)	monomer from PDB 1F7T
RMSD bond length	0.008
RMSD bond angle	1.300
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SHARP
Refinement software	CNS (0.9)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	100.000	1.530
High resolution limit [Å]	1.500	1.500
Rmerge	0.064	0.307
Total number of observations	64434 *
Number of reflections	17170 *
<I/σ(I)>	18.1
Completeness [%]	99.9	98.9
Redundancy	3.7	2.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	unknown *	4.4	291	Protein: 10 mM sodium acetate, 2mM magnesium chloride, 100mM sodium chloride, 5mM Dithiothreitol Well: 20% PEG 3350, 0.2M Calcium chloride, pH 4.4, VAPOR DIFFUSION, HANGING DROP, temperature 18K
1	unknown *	4.4	291	Protein: 10 mM sodium acetate, 2mM magnesium chloride, 100mM sodium chloride, 5mM Dithiothreitol Well: 20% PEG 3350, 0.2M Calcium chloride, pH 4.4, VAPOR DIFFUSION, HANGING DROP, temperature 18K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1		0.2 (M)
2	1	1	PEG3350	20 (%)