3FFE

Structure of Achromobactin Synthetase Protein D, (AcsD)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM14
Synchrotron site	ESRF
Beamline	BM14
Temperature [K]	100
Detector technology	CCD
Collection date	2006-09-12
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.976
Spacegroup name	P 21 21 21
Unit cell lengths	80.328, 95.729, 160.520
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.720 - 2.250
R-factor	0.18907
Rwork	0.186
R-free	0.24055
Structure solution method	SAD
RMSD bond length	0.009
RMSD bond angle	1.093
Data reduction software	XDS
Data scaling software	XDS
Phasing software	SHELXS
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.380
High resolution limit [Å]	2.250	2.250
Rmerge	0.098	0.402
Number of reflections	56200
<I/σ(I)>	11.5	3.2
Completeness [%]	94.4	91.5
Redundancy	3	3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	0.1M Tris-HCl, pH8.5, 1.0M sodium tartrate, VAPOR DIFFUSION, SITTING DROP, temperature 293K
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	0.1M Tris-HCl, pH8.5, 1.0M sodium tartrate, VAPOR DIFFUSION, SITTING DROP, temperature 293K
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	0.1M Tris-HCl, pH8.5, 1.0M sodium tartrate, VAPOR DIFFUSION, SITTING DROP, temperature 293K