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3A0H

Crystal structure of I-substituted Photosystem II complex

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsSPRING-8 BEAMLINE BL41XU
Synchrotron siteSPring-8
BeamlineBL41XU
Temperature [K]100
Detector technologyCCD
Collection date2007-06-30
DetectorADSC QUANTUM 315
Wavelength(s)1.0
Spacegroup nameP 21 21 21
Unit cell lengths128.499, 224.702, 304.919
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution20.000 - 4.000
R-factor0.29
Rwork0.290
R-free0.32600
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)2axt
RMSD bond length0.033
RMSD bond angle3.700
Data reduction softwareHKL-2000
Data scaling softwareHKL-2000
Phasing softwareCNS
Refinement softwareCNS (1.2)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]50.0004.140
High resolution limit [Å]4.0004.000
Rmerge0.0900.908
Number of reflections75277
<I/σ(I)>25.572.158
Completeness [%]99.8100
Redundancy7.37.4
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP62934% PEG 1450, 40mM MgSO4, 10mM MgCl2, 13% glycerol, 0.01% DM, 20mM MES (pH6.0), 10mM NaI, 5mM CaI, VAPOR DIFFUSION, HANGING DROP, temperature 293K

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