4L39

Crystal structure of GH3.12 from Arabidopsis thaliana in complex with AMPCPP and salicylate

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	2011-05-04
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.873
Spacegroup name	P 21 21 21
Unit cell lengths	62.360, 114.088, 157.976
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	58.004 - 2.810
R-factor	0.2014
Rwork	0.198
R-free	0.26660
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4epm
RMSD bond length	0.017
RMSD bond angle	1.547
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.8.2_1309))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	92.490	3.000
High resolution limit [Å]	2.810	2.810
Rmerge	0.260	0.700
Number of reflections	28172
<I/σ(I)>	8	2.73
Completeness [%]	99.7	99.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.5	288	20% PEG3350, 0.25 M ammonium acetate, 0.1 M sodium acetate, 5 mM TCEP, 5 mM salicylate, 5 mM AMPCPP, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 288K