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9NIT

Crystal structure of Vibrio cholerae CqsR bound to L-alaninol

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSEALED TUBE
Source detailsRIGAKU PhotonJet-S
Temperature [K]100
Detector technologyPIXEL
Collection date2025-01-23
DetectorRIGAKU HyPix-6000HE
Wavelength(s)1.540562
Spacegroup nameI 41 2 2
Unit cell lengths121.024, 121.024, 70.545
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution19.690 - 1.720
R-factor0.1836
Rwork0.180
R-free0.22040
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.006
RMSD bond angle0.807
Data reduction softwareCrysalisPro
Data scaling softwareCrysalisPro
Phasing softwarePHASER
Refinement softwarePHENIX (1.21.2_5419)
Data quality characteristics
 OverallInner shellOuter shell
Low resolution limit [Å]19.69019.6901.780
High resolution limit [Å]1.7203.7901.720
Rpim0.0280.0100.334
Number of reflections2678827622139
<I/σ(I)>7.2670.451.21
Completeness [%]95.598.576.1
Redundancy8.78.83.4
CC(1/2)0.9991.0000.670
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP92931.8 M lithium chloride, 0.1 M bicine pH 9.0, 10% PEG 6000

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PDB entries from 2025-07-09

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