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2E18

Crystal structure of project PH0182 from Pyrococcus horikoshii OT3

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsSPRING-8 BEAMLINE BL26B1
Synchrotron siteSPring-8
BeamlineBL26B1
Temperature [K]100
Detector technologyCCD
Collection date2006-07-06
DetectorRIGAKU JUPITER
Wavelength(s)1.0
Spacegroup nameP 41
Unit cell lengths84.919, 84.919, 113.576
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution34.580 - 2.100
R-factor0.228
Rwork0.228
R-free0.26200
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)PDB code 1XNH
RMSD bond length0.008
RMSD bond angle1.200
Data reduction softwareHKL-2000
Data scaling softwareSCALEPACK
Phasing softwareMOLREP
Refinement softwareCNS (1.1)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]40.0002.180
High resolution limit [Å]2.1002.100
Rmerge0.0870.368
Number of reflections46959
<I/σ(I)>9.22.9
Completeness [%]100.0100
Redundancy7.26.8
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1Microbach7.429120v/v (%) 1 4-butanediol, 0.1M Imidazole, 0.2M Zn Acet, pH 7.4, Microbach, temperature 291K

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