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4LGA

ABA-mimicking ligand N-(2-OXO-1-PROPYL-1,2,3,4-TETRAHYDROQUINOLIN-6-YL)-1-PHENYLMETHANESULFONAMIDE in complex with ABA receptor PYL2 and PP2C HAB1

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsSSRF BEAMLINE BL17U
Synchrotron siteSSRF
BeamlineBL17U
Temperature [K]100
Detector technologyCCD
Collection date2012-12-18
DetectorADSC QUANTUM 315r
Wavelength(s)1.00
Spacegroup nameP 21 21 21
Unit cell lengths61.028, 67.164, 145.348
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution30.000 - 2.700
R-factor0.24967
Rwork0.246
R-free0.27987
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)3kb3
RMSD bond length0.011
RMSD bond angle1.170
Data reduction softwareHKL-2000
Data scaling softwareSCALEPACK
Phasing softwarePHASES
Refinement softwareREFMAC (5.5.0072)
Data quality characteristics
 OverallInner shellOuter shell
Low resolution limit [Å]30.00030.0002.800
High resolution limit [Å]2.7005.8002.700
Rmerge0.1030.0560.722
Number of reflections16757
<I/σ(I)>9.1
Completeness [%]97.991.799.6
Redundancy3.73.33.9
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP6293PEG3350, ammonium sulfate, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K

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