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6N7Y

Crystal structure of human FPPS in complex with an allosteric inhibitor MIT-01-102

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsCLSI BEAMLINE 08ID-1
Synchrotron siteCLSI
Beamline08ID-1
Temperature [K]100
Detector technologyCCD
Collection date2017-06-15
DetectorMARMOSAIC 300 mm CCD
Wavelength(s)0.97949
Spacegroup nameP 41 21 2
Unit cell lengths111.240, 111.240, 77.300
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution78.660 - 2.000
R-factor0.17544
Rwork0.174
R-free0.20244
Structure solution methodFOURIER SYNTHESIS
Starting model (for MR)4xqr
RMSD bond length0.015
RMSD bond angle1.733
Data reduction softwareXDS
Data scaling softwareXSCALE
Phasing softwareREFMAC
Refinement softwareREFMAC (5.8.0230)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]78.6602.040
High resolution limit [Å]2.0002.000
Rmerge0.0471.385
Rmeas0.0491.447
Rpim0.0140.415
Number of reflections332091628
<I/σ(I)>23.21.9
Completeness [%]99.899.3
Redundancy1311.9
CC(1/2)0.9990.826
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP8.52951.6 M Ammonium phosphate, 20% glycerol, 0.08 M TrisHCl

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