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8YW7

Structure of CylI in complex with resorcinol product

This is a non-PDB format compatible entry.
Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeROTATING ANODE
Source detailsRIGAKU
Temperature [K]100
Detector technologyPIXEL
Collection date2022-05-30
DetectorRIGAKU HyPix-6000HE
Wavelength(s)1.542
Spacegroup nameP 21 21 21
Unit cell lengths48.788, 112.822, 134.128
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution22.390 - 2.000
R-factor0.1779
Rwork0.176
R-free0.21490
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.007
RMSD bond angle0.858
Data reduction softwareXDS
Data scaling softwareAimless
Phasing softwarePHENIX
Refinement softwarePHENIX (1.19.1_4122)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]22.3902.071
High resolution limit [Å]2.0002.000
Number of reflections508855003
<I/σ(I)>19.49
Completeness [%]99.8
Redundancy9.9
CC(1/2)0.9980.949
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION8.529327% PEG 4000, 0.09 M Tris-HCl, pH 8.5, 0.18 M magnesium chloride, 3% w/v D-Sorbitol

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