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1H35

Structures of Human Oxidosqualene Cyclase Inhibitors Bound to an Homologous Enzyme

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeROTATING ANODE
Source detailsRIGAKU RU200B
Temperature [K]298
Detector technologyAREA DETECTOR
DetectorSIEMENS
Spacegroup nameP 32 2 1
Unit cell lengths140.930, 140.930, 244.185
Unit cell angles90.00, 90.00, 120.00
Refinement procedure
Resolution40.000

*

- 2.800
R-factor0.219
Rwork0.219
R-free0.25800
Structure solution methodOTHER
RMSD bond length0.004
RMSD bond angle1.000
Data reduction softwareXDS
Data scaling softwareSCALA
Refinement softwareCNS (1.1)
Data quality characteristics
 Overall
Low resolution limit [Å]40.000

*

High resolution limit [Å]2.800
Rmerge0.089
Total number of observations216866

*

Number of reflections56865
<I/σ(I)>7
Completeness [%]82.0

*

Redundancy3.8
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1Vapor diffusion, hanging drop

*

4.820

*

pH 4.80
Crystallization Reagents in Literatures
IDcrystal IDsolutionreagent nameconcentration (unit)details
11dropprotein5-8 (mg/ml)
21reservoirsodium citrate50 (mM)pH4.8
31reservoir50 (mM)
41reservoirPEG6003-9 (%(v/v))
51reservoir0.3 (%(w/v))

222415

PDB entries from 2024-07-10

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