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3ASX

Human Squalene synthase in complex with 1-{4-[{4-chloro-2-[(2-chlorophenyl)(hydroxy)methyl]phenyl}(2,2-dimethylpropyl)amino]-4-oxobutanoyl}piperidine-3-carboxylic acid

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeROTATING ANODE
Source detailsRIGAKU RU200
Temperature [K]298
Detector technologyIMAGE PLATE
Collection date2002-02-23
DetectorRIGAKU RAXIS IIC
Wavelength(s)1.54178
Spacegroup nameC 1 2 1
Unit cell lengths87.069, 59.837, 85.447
Unit cell angles90.00, 116.66, 90.00
Refinement procedure
Resolution76.700 - 2.000
R-factor0.17699
Rwork0.174
R-free0.22839
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1ezf
RMSD bond length0.025
RMSD bond angle1.866
Data reduction softwareMOSFLM
Data scaling softwareSCALA
Phasing softwareMOLREP
Refinement softwareREFMAC (5.5.0109)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]76.7002.150
High resolution limit [Å]2.0002.000
Rmerge0.0570.210
Number of reflections26043
<I/σ(I)>9.43
Completeness [%]99.499.4
Redundancy2.92.9
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION5293seeding method, pH 5, VAPOR DIFFUSION, temperature 293K

217705

건을2024-03-27부터공개중

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