3QN1

Crystal structure of the PYR1 Abscisic Acid receptor in complex with the HAB1 type 2C phosphatase catalytic domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-4
Synchrotron site	ESRF
Beamline	ID14-4
Temperature [K]	100
Detector technology	CCD
Collection date	2009-10-21
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9395
Spacegroup name	P 21 21 21
Unit cell lengths	45.850, 65.860, 170.870
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.240 - 1.800
R-factor	0.17586
Rwork	0.174
R-free	0.21760
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1a6q
RMSD bond length	0.020
RMSD bond angle	1.655
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	REFMAC (5.5.0102)

Data quality characteristics

	Overall
Low resolution limit [Å]	28.240
High resolution limit [Å]	1.800
Rmerge	0.062
Number of reflections	47524
<I/σ(I)>	22.6
Completeness [%]	95.9
Redundancy	7.17

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	298	0.25M NaCl, 19% Peg 3350, 1mM MnCl2, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
2	VAPOR DIFFUSION, HANGING DROP	7.5	298	0.25M NaCl, 19% Peg 3350, 1mM MnCl2, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K