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2ZCQ

Crystal structure of the C(30) carotenoid dehydrosqualene synthase from Staphylococcus aureus complexed with bisphosphonate BPH-652

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsNSRRC BEAMLINE BL13B1
Synchrotron siteNSRRC
BeamlineBL13B1
Temperature [K]100
Detector technologyCCD
Collection date2007-09-19
DetectorADSC QUANTUM 315
Wavelength(s)1.0000
Spacegroup nameP 32 2 1
Unit cell lengths80.440, 80.440, 90.040
Unit cell angles90.00, 90.00, 120.00
Refinement procedure
Resolution30.000 - 2.380
Rwork0.223
R-free0.27000
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)2zco
RMSD bond length0.013
RMSD bond angle1.500
Data reduction softwareHKL-2000
Data scaling softwareHKL-2000
Phasing softwareCNS
Refinement softwareCNS
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]30.0002.470
High resolution limit [Å]2.3802.380
Rmerge0.0500.513
Number of reflections13919
<I/σ(I)>50.15.1
Completeness [%]99.5100
Redundancy11.912.4
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP7.52980.12-0.58M potassium sodium tartrate, 0.05mM BPH-652, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K

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