2W03

Co-complex Structure of Achromobactin Synthetase Protein D (AcsD) with adenosine, sulfate and citrate from Pectobacterium Chrysanthemi

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	CCD
Collection date	2007-11-09
Detector	MARRESEARCH
Spacegroup name	P 1
Unit cell lengths	57.650, 69.140, 94.190
Unit cell angles	95.43, 101.45, 95.06

Refinement procedure

Resolution	91.670 - 2.950
R-factor	0.205
Rwork	0.202
R-free	0.26700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	APO STRUCTURE OF ACSD
RMSD bond length	0.016
RMSD bond angle	1.747
Data reduction software	XDS
Data scaling software	SCALA (CCP4)
Phasing software	PHASER
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.900	3.110
High resolution limit [Å]	2.950	2.950
Rmerge	0.140	0.440
Number of reflections	29165
<I/σ(I)>	6.2	1.9
Completeness [%]	98.2	98.5
Redundancy	2	2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5		29% PEG8000, 200 MM (NH4)2SO4, 10 MM SODIUM CITRATE, 5 MM ADENOSINE, 100 MM NACAC PH 6.5 ACSD CONCENTRATION: 9 MG/ML, 3UL PROTEIN AND EQUAL AMOUNTS OF PRECIPITANT USED FOR HANGING DROP METHOD