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3AG0

Crystal structure of carbonmonoxy human cytoglobin

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsSPRING-8 BEAMLINE BL41XU
Synchrotron siteSPring-8
BeamlineBL41XU
Temperature [K]100
Detector technologyCCD
Collection date2007-04-06
DetectorADSC QUANTUM 315
Wavelength(s)1.0000
Spacegroup nameP 21 21 21
Unit cell lengths36.198, 43.977, 94.019
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution19.920 - 2.600
R-factor0.215
Rwork0.215
R-free0.24800
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1v5h
RMSD bond length0.014
RMSD bond angle1.700
Data reduction softwareDENZO
Data scaling softwareXSCALE
Phasing softwareMOLREP
Refinement softwareCNS (1.1)
Data quality characteristics
 OverallInner shellOuter shell
Low resolution limit [Å]50.0005.6002.690
High resolution limit [Å]2.6004.4502.600
Rmerge0.1040.0590.498
Rmeas0.1120.0600.540
Total number of observations34085
Number of reflections4892498456
<I/σ(I)>16.3127.24.5
Completeness [%]98.698.6100
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1batch829320% PEG 3350, 20mM ammonium acetate, 5mM sodium dithionite, pH 8.0, batch, temperature 293K

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