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3H6T

Crystal structure of the iGluR2 ligand-binding core (S1S2J-N754S) in complex with glutamate and cyclothiazide at 2.25 A resolution

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsMAX II BEAMLINE I711
Synchrotron siteMAX II
BeamlineI711
Temperature [K]96.5
Detector technologyCCD
Collection date2005-12-14
DetectorMAR CCD 165 mm
Spacegroup nameP 21 21 2
Unit cell lengths114.486, 163.136, 47.354
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution22.840 - 2.250
R-factor0.182
Rwork0.182
R-free0.22800
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1ftj
RMSD bond length0.006
RMSD bond angle1.330
Data reduction softwareMOSFLM
Data scaling softwareSCALA (3.2.25)
Phasing softwarePHASER (1.3.3)
Refinement softwareCNS
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]22.8402.370
High resolution limit [Å]2.2502.250
Rmerge0.0840.346
Number of reflections42613
<I/σ(I)>7.81.9
Completeness [%]99.3100
Redundancy3.43.4
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
16.527925 % PEG 4000, 0.3 M Zinc acetate, 0.1 M Cacodylate pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 279K

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