3JRQ

Crystal structure of (+)-ABA-bound PYL1 in complex with ABI1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE AR-NW12A
Synchrotron site	Photon Factory
Beamline	AR-NW12A
Temperature [K]	95
Detector technology	CCD
Detector	ADSC QUANTUM 210r
Wavelength(s)	1.00000
Spacegroup name	P 1 21 1
Unit cell lengths	49.010, 60.620, 84.960
Unit cell angles	90.00, 104.56, 90.00

Refinement procedure

Resolution	20.000 - 2.100
R-factor	0.201
Rwork	0.198
R-free	0.24900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1A6Q and 3JRS
RMSD bond length	0.023
RMSD bond angle	2.169
Data reduction software	XDS
Data scaling software	XSCALE
Refinement software	REFMAC (refmac_5.5.0088)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	20.000	20.000	2.150
High resolution limit [Å]	2.100	9.390	2.100
Rmerge	0.093	0.050	0.348
Number of reflections	26472	290	1621
<I/σ(I)>	10.88	21.3	2.4
Completeness [%]	93.3	82.6	78.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	293	21% PEG3000, 0.1 M sodium citrate pH 5.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K