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1C1A

CRYSTAL STRUCTURE OF RSV TWO-DOMAIN INTEGRASE

Experimental procedure
Experimental methodMULTIPLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsNSLS BEAMLINE X9B
Synchrotron siteNSLS
BeamlineX9B
Temperature [K]95
Detector technologyCCD
Collection date1998-11-17
DetectorADSC QUANTUM 4
Spacegroup nameP 1 21 1
Unit cell lengths66.240, 46.339, 94.309
Unit cell angles90.00, 101.76, 90.00
Refinement procedure
Resolution15.000 - 3.100
R-factor0.256
Rwork0.256
R-free0.33700
Structure solution methodMAD PHASING
Starting model (for MR)ASV INTEGRASE CATALYTIC DOMAIN (1VSE)
RMSD bond length0.010
RMSD bond angle24.000

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Data reduction softwareDENZO
Data scaling softwareSCALEPACK
Phasing softwareSOLVE
Refinement softwareCNS
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]15.0003.110
High resolution limit [Å]3.0003.000
Rmerge0.0600.177
Number of reflections11250
<I/σ(I)>15.65.5
Completeness [%]98.696.5
Redundancy3.42.9
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1Vapor diffusion, hanging drop

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7

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0-5

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ROD-SHAPED CRYSTALS WERE GROWN BY SITTING DROP VAPOR DIFFUSION METHOD. RESERVOIR SOLUTION CONTAINED 0.050M KCL, 0.01M MGCL2, 0.1M SODIUM CACODYLATE, 0.02M IMIDAZOLE, PH 7.2, 10% PEG3350, AND 20% (V/V) ETHYLENE GLYCOL. THE DROP CONTAINED 1:1 MIXTURE OF RESERVOIR SOLUTION AND PROTEIN (10-15 MG/ML)
Crystallization Reagents in Literatures
IDcrystal IDsolutionreagent nameconcentration (unit)details
11reservoir0.05 (M)
21reservoir0.01 (M)
31reservoirsodium cacodylate0.05 (M)
41reservoirPEG335010 (%(w/v))
51reservoirethylene glycol25 (%(v/v))

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