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4WW3

Crystal structure of the lumi intermediate of squid rhodopsin

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsSPRING-8 BEAMLINE BL38B1
Synchrotron siteSPring-8
BeamlineBL38B1
Temperature [K]100
Detector technologyCCD
Collection date2011-12-19
DetectorADSC QUANTUM 210
Wavelength(s)1.0
Spacegroup nameP 62
Unit cell lengths122.390, 122.390, 158.770
Unit cell angles90.00, 90.00, 120.00
Refinement procedure
Resolution44.080 - 2.800
R-factor0.29
Rwork0.290
R-free0.29600
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)2z73
RMSD bond length0.009
RMSD bond angle1.400
Data reduction softwareMOSFLM
Data scaling softwareSCALA (3.3.16)
Phasing softwareCNS (1.2)
Refinement softwareCNS (1.2)
Data quality characteristics
 OverallInner shellOuter shell
Low resolution limit [Å]52.84852.8482.950
High resolution limit [Å]2.7998.8502.799
Rmerge0.0700.494
Rpim0.0330.252
Total number of observations345617666
Number of reflections28450
<I/σ(I)>7.115.82.1
Completeness [%]85.971.291.4
Redundancy4.24.54
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP6.42773.0M ammonium sulfate, 20mM MES, 50mM EDTA, 10mM beta-mercaptoethanol

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