2FAD

Crystal structure of E. coli heptanoyl-ACP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-2
Synchrotron site	ESRF
Beamline	ID14-2
Temperature [K]	100
Wavelength(s)	0.933
Spacegroup name	P 21 21 2
Unit cell lengths	49.257, 106.244, 28.195
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	10.000 - 1.600
Rwork	0.209
R-free	0.25600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB 1L0I
RMSD bond length	0.010
RMSD bond angle	2.000
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	15.000	1.660
High resolution limit [Å]	1.600	1.600
Rmerge	0.056	0.400
Number of reflections	16351
<I/σ(I)>	19.3	2.2
Completeness [%]	80.0	74
Redundancy	2.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	290	8-12% PEG 4000, 30 mM zinc acetate, 50 mM sodium cocadylate, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 290K