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3NAV

Crystal structure of an alpha subunit of tryptophan synthase from Vibrio cholerae O1 biovar El Tor str. N16961

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsAPS BEAMLINE 19-ID
Synchrotron siteAPS
Beamline19-ID
Temperature [K]100
Detector technologyCCD
Collection date2010-05-18
DetectorADSC QUANTUM 315r
Wavelength(s)0.9794
Spacegroup nameP 21 21 21
Unit cell lengths57.594, 60.380, 141.197
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution40.000 - 2.100
R-factor0.18201
Rwork0.179
R-free0.23304
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1xc4
RMSD bond length0.020
RMSD bond angle1.668
Data reduction softwareHKL-3000
Data scaling softwareHKL-3000
Phasing softwareMOLREP
Refinement softwareREFMAC (5.5.0109)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]40.0002.140
High resolution limit [Å]2.1002.100
Rmerge0.0910.380
Number of reflections29864
<I/σ(I)>108.3
Completeness [%]99.9100
Redundancy5.35.2
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP72910.2 M Ammonium flouride 20% Peg 3350, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 291K

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