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3U4S

Histone Lysine demethylase JMJD2A in complex with T11C peptide substrate crosslinked to N-oxalyl-D-cysteine

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsDIAMOND BEAMLINE I04
Synchrotron siteDiamond
BeamlineI04
Temperature [K]100
Detector technologyCCD
Collection date2009-12-14
DetectorADSC QUANTUM 315r
Wavelength(s)0.97630
Spacegroup nameP 21 21 2
Unit cell lengths99.819, 150.060, 55.917
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution37.281 - 2.150
R-factor0.1828
Rwork0.181
R-free0.22190
RMSD bond length0.013
RMSD bond angle1.119
Data reduction softwareDENZO
Data scaling softwareSCALEPACK
Phasing softwarePHASER (2.1.1)
Refinement softwarePHENIX (1.7_650)
Data quality characteristics
 OverallInner shellOuter shell
Low resolution limit [Å]50.00050.0002.230
High resolution limit [Å]2.1504.6302.150
Rmerge0.0770.0360.449
Number of reflections46669
<I/σ(I)>10.8
Completeness [%]99.798.598.5
Redundancy4.84.64.4
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP5.527720% PEG 3350, 0.1M citrate, 2 mM NiCl2, pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K

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