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5NTC

Crystal structure of mouse CARM1 in complex with inhibitor SA0678

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsESRF BEAMLINE ID23-1
Synchrotron siteESRF
BeamlineID23-1
Temperature [K]100
Detector technologyCCD
Collection date2010-05-08
DetectorADSC QUANTUM 315r
Wavelength(s)1.276
Spacegroup nameP 21 21 2
Unit cell lengths74.909, 99.151, 206.873
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution19.941 - 2.250
R-factor0.1799
Rwork0.178
R-free0.21620
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)5ih3
RMSD bond length0.005
RMSD bond angle1.090
Data reduction softwareHKL-2000
Data scaling softwareSCALEPACK
Phasing softwarePHASER
Refinement softwarePHENIX (dev_1951)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]20.0002.290
High resolution limit [Å]2.2502.250
Number of reflections73787
<I/σ(I)>14.85.3
Completeness [%]99.8100
Redundancy6.36.5
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP7.5297BTP pH 7.5 100 mM, PEG 2000 MME 25 %, NaCl 50 mM

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