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2O4D

Crystal Structure of a hypothetical protein from Pseudomonas aeruginosa

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsAPS BEAMLINE 17-ID
Synchrotron siteAPS
Beamline17-ID
Temperature [K]100
Detector technologyCCD
Collection date2006-11-12
DetectorADSC QUANTUM 210
Spacegroup nameP 63 2 2
Unit cell lengths92.718, 92.718, 65.303
Unit cell angles90.00, 90.00, 120.00
Refinement procedure
Resolution30.000 - 1.850
R-factor0.176
Rwork0.175
R-free0.20600
Structure solution methodSAD
RMSD bond length0.011
RMSD bond angle1.219
Data reduction softwareHKL-2000
Data scaling softwareHKL-2000
Phasing softwareSHARP
Refinement softwareREFMAC
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]50.0001.920
High resolution limit [Å]1.8501.850
Rmerge0.0900.446
Number of reflections14543
<I/σ(I)>28.59.7
Completeness [%]99.9100
Redundancy21.520.2
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP7.62980.2M NaCl, 0.1M Tris pH7.6, 0.4M sodium dihydrogen phosphate, 1.6M dipotassium hydrogen phosphate, VAPOR DIFFUSION, SITTING DROP, temperature 298K

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