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3LGM

Crystal structure of reduced IsdI in complex with heme

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsCLSI BEAMLINE 08ID-1
Synchrotron siteCLSI
Beamline08ID-1
Temperature [K]100
Detector technologyCCD
Collection date2008-11-08
DetectorMARMOSAIC 300 mm CCD
Wavelength(s)0.97934
Spacegroup nameP 21 21 21
Unit cell lengths58.040, 68.030, 70.750
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution44.870 - 1.880
R-factor0.203
Rwork0.200
R-free0.24200
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)2zdp
RMSD bond length0.014
RMSD bond angle1.348
Data reduction softwareMOSFLM
Data scaling softwareSCALA (3.3.15)
Refinement softwareREFMAC
Data quality characteristics
 Overall
Low resolution limit [Å]70.750
High resolution limit [Å]1.880
Number of reflections23396
Completeness [%]99.8
Redundancy7
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP5.527725% polyethylene glycol 3350, 0.2M MgCl2, 0.1M Bis-Tris buffer pH 5.5, and soaked in 50mM sodium dithionite for 10 minutes with a cryoprotectant of 10% ethylene glycol before freezing, VAPOR DIFFUSION, SITTING DROP, temperature 277K

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