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3IOS

Structure of MTB dsbF in its mixed oxidized and reduced forms

Replaces:  1ZZO
Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsALS BEAMLINE 8.2.2
Synchrotron siteALS
Beamline8.2.2
Temperature [K]200
Detector technologyCCD
Collection date2003-07-20
DetectorADSC QUANTUM 4
Spacegroup nameP 42 21 2
Unit cell lengths100.120, 100.120, 30.090
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution10.000 - 1.600
R-factor0.144
Rwork0.144
R-free0.20000
Structure solution methodAB INITIO
Starting model (for MR)1lu4
RMSD bond length0.009
RMSD bond angle0.034
Data reduction softwareDENZO
Data scaling softwareSCALEPACK
Phasing softwareEPMR
Refinement softwareSHELXL
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]50.0001.660
High resolution limit [Å]1.6001.600
Rmerge0.0680.597
Number of reflections23073
<I/σ(I)>40.683.85
Completeness [%]100.0100
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
172980.1 M NA malonate ph 7.0, 2.04 M NA citrate, 5% LDAO, temperature 298K

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