3JRS

Crystal structure of (+)-ABA-bound PYL1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-5A
Synchrotron site	Photon Factory
Beamline	BL-5A
Temperature [K]	95
Detector technology	CCD
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0000
Spacegroup name	P 41 21 2
Unit cell lengths	97.730, 97.730, 135.270
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.050
R-factor	0.192
Rwork	0.190
R-free	0.22900
Structure solution method	MAD
RMSD bond length	0.026
RMSD bond angle	2.313
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	2.100
High resolution limit [Å]	2.050	9.170	2.050
Rmerge	0.057	0.021	0.516
Number of reflections	41716	480	3031
<I/σ(I)>	32.29	79.6	6.2
Completeness [%]	99.8	85.7	100

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	293	0.1 M HEPES, pH 8.0, 24% PEG3350, 0.2 M NaCl, VAPOR DIFFUSION, SITTING DROP, temperature 293K
1	VAPOR DIFFUSION, SITTING DROP	8	293	0.1 M HEPES, pH 8.0, 24% PEG3350, 0.2 M NaCl, VAPOR DIFFUSION, SITTING DROP, temperature 293K