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3UME

Structure of pB intermediate of Photoactive yellow protein (PYP) at pH 7

Experimental procedure
Experimental methodLAUE
Source typeSYNCHROTRON
Source detailsAPS BEAMLINE 14-ID-B
Synchrotron siteAPS
Beamline14-ID-B
Temperature [K]293
Detector technologyCCD
DetectorMAR CCD 165 mm
Wavelength(s)1.0 - 1.2
Spacegroup nameP 63
Unit cell lengths66.900, 66.900, 40.800
Unit cell angles90.00, 90.00, 120.00
Refinement procedure
Resolution30.000 - 1.800
R-factor0.146
Rwork0.120
R-free0.14600
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)2phy
RMSD bond length0.005
RMSD bond angle1.485
Data reduction softwareXFIT
Refinement softwareCNS (1.1)
Data quality characteristics
 Overall
Low resolution limit [Å]30.000
High resolution limit [Å]1.600
Number of reflections10000
Completeness [%]100.0
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP72933.0 M Ammonium Sulfate, 50 mM Sodium Phosphate, pH 7, VAPOR DIFFUSION, SITTING DROP, temperature 293K

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