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3K4H

CRYSTAL STRUCTURE OF putative transcriptional regulator LacI from Bacillus cereus subsp. cytotoxis NVH 391-98

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsNSLS BEAMLINE X29A
Synchrotron siteNSLS
BeamlineX29A
Temperature [K]100
Detector technologyCCD
Collection date2009-07-15
DetectorADSC QUANTUM 315
Spacegroup nameP 41 21 2
Unit cell lengths98.607, 98.607, 186.749
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution20.000 - 2.800
R-factor0.20503
Rwork0.203
R-free0.24388
Structure solution methodSAD
RMSD bond length0.012
RMSD bond angle1.548
Data reduction softwareDENZO
Data scaling softwareSCALEPACK
Phasing softwareSHELXS
Refinement softwareREFMAC (5.5.0089)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]50.0002.750
High resolution limit [Å]2.7002.700
Rmerge0.096
Number of reflections48261
<I/σ(I)>8
Completeness [%]99.999.5
Redundancy6.44.9
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP629820% PEG8000, 0.1M MES, 0.2M Ca(OAc)2, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K

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