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5NM3

Deinococcus radiodurans BphP PAS-GAF-PHY Y263F mutant, pre-illuminated

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsESRF BEAMLINE ID23-2
Synchrotron siteESRF
BeamlineID23-2
Temperature [K]100
Detector technologyCCD
Collection date2015-10-10
DetectorMARMOSAIC 225 mm CCD
Wavelength(s)0.87260
Spacegroup nameP 21 21 21
Unit cell lengths85.700, 198.500, 223.600
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution19.980 - 3.300
R-factor0.2351
Rwork0.234
R-free0.26680
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)5c5k
RMSD bond length0.007
RMSD bond angle1.172
Data reduction softwareXDS
Data scaling softwareXSCALE (Nov 1, 2016)
Phasing softwarePHASER (2.5.7)
Refinement softwareREFMAC (5.8.0135)
Data quality characteristics
 OverallInner shellOuter shell
Low resolution limit [Å]19.98019.9803.380
High resolution limit [Å]3.30015.0003.300
Rmerge0.1570.0291.469
Rmeas0.1800.0331.677
Total number of observations236771
Number of reflections578274004096
<I/σ(I)>7.6832.530.96
Completeness [%]99.154.399.9
Redundancy4.0943.9024.309
CC(1/2)0.9940.9990.312
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP8.5293100 mM Tris/HCl pH 8.5, 200 mM NaCl, 25% PEG3350

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