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3IDZ

Crystal Structure of S378Q mutant TTHA0252 from Thermus thermophilus HB8

Replaces:  2ZDF
Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsSPRING-8 BEAMLINE BL26B2
Synchrotron siteSPring-8
BeamlineBL26B2
Temperature [K]95
Detector technologyCCD
Collection date2007-09-21
DetectorMARMOSAIC 225 mm CCD
Wavelength(s)1.28244
Spacegroup nameC 1 2 1
Unit cell lengths142.841, 147.197, 121.172
Unit cell angles90.00, 109.52, 90.00
Refinement procedure
Resolution50.000 - 2.500
Rwork0.240
R-free0.27800
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)2dkf
Data reduction softwareDENZO
Data scaling softwareSCALEPACK
Refinement softwareCNS
Data quality characteristics
 OverallInner shellOuter shell
Low resolution limit [Å]50.00050.0002.590
High resolution limit [Å]2.5005.3802.500
Rmerge0.0490.0330.346
Number of reflections81525
<I/σ(I)>16.3
Completeness [%]99.999.2100
Redundancy5.455.5
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP5.629350mM sodium citrate, 0.2M ammonium sulfate, 0.6M lithium sulfate, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 293K

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