5KOD

Crystal Structure of GH3.5 Acyl Acid Amido Synthetase from Arabidopsis thaliana

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	2012-06-11
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	.98
Spacegroup name	P 1 21 1
Unit cell lengths	91.609, 143.523, 102.322
Unit cell angles	90.00, 114.72, 90.00

Refinement procedure

Resolution	42.164 - 2.202
R-factor	0.2068
Rwork	0.205
R-free	0.24470
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4eql
RMSD bond length	0.008
RMSD bond angle	1.167
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall
Low resolution limit [Å]	42.200
High resolution limit [Å]	2.200
Number of reflections	108566
<I/σ(I)>	11.2
Completeness [%]	89.5
Redundancy	2.26

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	9.5	277	20% PEG-8000 0.1 M N-cyclohexyl-2-aminoethanesulfonic acid, pH 9.5 2 mM MgCl2 5 mM tris(2-carboxyethyl)phosphine 5 mM IAA 5 mM AMP