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2DZX

Structure of mutant tryptophan synthase alpha-subunit (E131-132A) from a hyperthermophile, Pyrococcus furiosus

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsSPRING-8 BEAMLINE BL41XU
Synchrotron siteSPring-8
BeamlineBL41XU
Temperature [K]100
Detector technologyCCD
Collection date2001-05-16
DetectorMAR CCD 165 mm
Wavelength(s)1.0
Spacegroup nameC 2 2 21
Unit cell lengths73.261, 77.732, 167.264
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution19.730 - 2.400
R-factor0.202
Rwork0.202
R-free0.27200
Structure solution methodFOURIER SYNTHESIS
Starting model (for MR)1geq
RMSD bond length0.006
RMSD bond angle1.300
Data reduction softwareHKL-2000
Data scaling softwareHKL-2000
Phasing softwareCNS
Refinement softwareCNS (1.1)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]99.0002.270
High resolution limit [Å]2.1902.190
Rmerge0.0540.171
Number of reflections23394
<I/σ(I)>42.14
Completeness [%]94.075.7
Redundancy6.56
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP6.52830.1M MES-NAOH, 12% PEG 20000, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 283K

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