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4IUR

crystal structure of SHH1 SAWADEE domain in complex with H3K9me3 peptide

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsNSLS BEAMLINE X29A
Synchrotron siteNSLS
BeamlineX29A
Temperature [K]100
Detector technologyCCD
Collection date2011-04-24
DetectorADSC QUANTUM 315r
Wavelength(s)1.075
Spacegroup nameP 1 21 1
Unit cell lengths53.341, 56.152, 58.936
Unit cell angles90.00, 93.02, 90.00
Refinement procedure
Resolution40.572 - 2.501
R-factor0.2166
Rwork0.215
R-free0.25570
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)4iup
RMSD bond length0.005
RMSD bond angle0.946
Data reduction softwareHKL-2000
Data scaling softwareHKL-2000
Phasing softwarePHENIX
Refinement softwarePHENIX ((phenix.refine: 1.7_650))
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]50.0002.590
High resolution limit [Å]2.5002.500
Rmerge0.0970.541
Number of reflections12197
<I/σ(I)>32.14.7
Completeness [%]99.9100
Redundancy66.2
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP72770.2 M NH4F, 20% PEG 3350, 7.6 mM 4-Cyclohexyl-1-Butyl-D-Maltoside , VAPOR DIFFUSION, SITTING DROP, temperature 277K

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