2W04

Co-complex Structure of Achromobactin Synthetase Protein D (AcsD) with citrate in ATP binding site from Pectobacterium Chrysanthemi

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2007-04-17
Detector	MARRESEARCH
Spacegroup name	P 21 21 21
Unit cell lengths	80.371, 94.959, 160.261
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	81.650 - 2.800
R-factor	0.206
Rwork	0.202
R-free	0.28000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	APO STRUCTURE OF ACSD
RMSD bond length	0.013
RMSD bond angle	1.461
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	81.600	2.950
High resolution limit [Å]	2.800	2.800
Rmerge	0.160	0.410
Number of reflections	30736
<I/σ(I)>	10.6	3
Completeness [%]	99.4	99.9
Redundancy	4.2	4.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.8		26%PEG8000, 0.1M TRIS-HCL PH7.8, 300MM SODIUM CITRATE ACSD WAS INCUBATED WITH 2 MM ATP-GAMMA-S (SIGMA A1388) FOR 10 MIN (RT). 3UL ACSD (6MG/ML) AND EQUAL AMOUNT OF PRECIPITANT WERE INCUBATED IN CONVENTIONAL HANGING DROP PLATES.