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2R87

Crystal structure of PurP from Pyrococcus furiosus complexed with ADP

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsCHESS BEAMLINE F1
Synchrotron siteCHESS
BeamlineF1
Temperature [K]100
Detector technologyCCD
Collection date2007-01-01
DetectorADSC QUANTUM 270
Wavelength(s)0.91770
Spacegroup nameP 1 21 1
Unit cell lengths76.095, 127.222, 121.673
Unit cell angles90.00, 102.85, 90.00
Refinement procedure
Resolution42.640 - 2.300
R-factor0.203
Rwork0.201
R-free0.24400
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)2r7k
RMSD bond length0.007
RMSD bond angle1.067
Data reduction softwareDENZO
Data scaling softwareSCALEPACK
Phasing softwareMOLREP
Refinement softwareREFMAC (5.3.0026)
Data quality characteristics
 OverallInner shellOuter shell
Low resolution limit [Å]50.00050.0002.380
High resolution limit [Å]2.3004.9502.300
Rmerge0.1380.0850.264
Number of reflections98928
<I/σ(I)>8.7
Completeness [%]98.899.698.5
Redundancy4.45.12.9
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP4.229110% 2-propanol, 200 mM Li2SO4, 100 mM Na phosphate-citrate, pH 4.2, vapor diffusion, hanging drop, temperature 291K
1VAPOR DIFFUSION, HANGING DROP4.229110% 2-propanol, 200 mM Li2SO4, 100 mM Na phosphate-citrate, pH 4.2, vapor diffusion, hanging drop, temperature 291K

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