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1OTI

E46Q MUTANT OF PHOTOACTIVE YELLOW PROTEIN, P65 AT 295K

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsAPS BEAMLINE 14-BM-C
Synchrotron siteAPS
Beamline14-BM-C
Temperature [K]295
Detector technologyCCD
Collection date2001-05-15
DetectorADSC QUANTUM 4
Wavelength(s)0.9
Spacegroup nameP 65
Unit cell lengths40.987, 40.987, 117.277
Unit cell angles90.00, 90.00, 120.00
Refinement procedure
Resolution20.000 - 1.400
R-factor0.133
Rwork0.131
R-free0.16100
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)2phy
RMSD bond length0.014
RMSD bond angle2.550
Data reduction softwareDENZO
Data scaling softwareSCALEPACK
Phasing softwareCNS
Refinement softwareSHELXL-97
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]100.0001.450
High resolution limit [Å]1.4001.400
Rmerge0.0880.568
Number of reflections21402
<I/σ(I)>12.42.6
Completeness [%]95.496.8
Redundancy23.1
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP6.5295PEG 2000, MES, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K

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