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3F7T

Structure of active IspH shows a novel fold with a [3Fe-4S] cluster in the catalytic centre

Experimental procedure
Experimental methodMAD
Source typeSYNCHROTRON
Source detailsSLS BEAMLINE X06SA
Synchrotron siteSLS
BeamlineX06SA
Temperature [K]100
Detector technologyPIXEL
Collection date2007-08-19
DetectorPSI PILATUS 6M
Wavelength(s)1.0,1.7368
Spacegroup nameP 32 2 1
Unit cell lengths83.470, 83.470, 215.450
Unit cell angles90.00, 90.00, 120.00
Refinement procedure
Resolution15.000 - 1.800
R-factor0.201
Rwork0.199
R-free0.23823
Structure solution methodSAD
RMSD bond length0.015
RMSD bond angle1.784
Data reduction softwareXDS
Data scaling softwareXDS
Phasing softwareSHARP
Refinement softwareREFMAC (5.2.0019)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]40.0001.910
High resolution limit [Å]1.8001.800
Rmerge0.0750.351
Number of reflections78209
<I/σ(I)>2.5
Completeness [%]98.496
Redundancy4.53.1
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP82981.6 M Potassium Phosphate, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K

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