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1M5F

X-RAY STRUCTURE OF THE GLUR2 LIGAND BINDING CORE (S1S2J-Y702F) IN COMPLEX WITH ACPA AT 1.95 A RESOLUTION

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsEMBL/DESY, HAMBURG BEAMLINE X11
Synchrotron siteEMBL/DESY, HAMBURG
BeamlineX11
Temperature [K]110
Detector technologyCCD
Collection date2001-08-16
DetectorMARRESEARCH
Wavelength(s)0.850
Spacegroup nameP 21 21 2
Unit cell lengths113.744, 163.400, 47.084
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution20.000

*

- 1.950
Rwork0.192
R-free0.23000
Structure solution methodDifference Fourier
Starting model (for MR)1M5E (S1S2J:ACPA molecule A).
RMSD bond length0.006
RMSD bond angle21.900

*

Data reduction softwareDENZO
Data scaling softwareSCALEPACK
Phasing softwareCNS (1.0)
Refinement softwareCNS (1.0)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]20.0002.000
High resolution limit [Å]1.9501.950
Rmerge0.0760.487
Number of reflections64323
<I/σ(I)>11.92.3
Completeness [%]99.498.1
Redundancy4.3
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP7

*

4

*

PEG 8000, Zn(OAc)2, cacodylate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 279K
Crystallization Reagents in Literatures
IDcrystal IDsolutionreagent nameconcentration (unit)details
11dropprotein10 (mg/ml)
21dropHEPES10 (mM)pH7.0
31drop20 (mM)
41dropEDTA1 (mM)
51drop(S)-ACPA3 (mM)
61reservoirPEG800012-18 (%(w/v))
71reservoirzinc acetate0.15-0.28 (M)
81reservoirsodium cacodylate0.1 (M)pH6.5

222036

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