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2CMU

Crystal structure of a putative peptidyl-arginine deiminase

Replaces:  1X72
Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsNSLS BEAMLINE X4A
Synchrotron siteNSLS
BeamlineX4A
Temperature [K]100
Detector technologyCCD
Collection date2004-06-17
DetectorADSC CCD
Spacegroup nameP 32 2 1
Unit cell lengths52.049, 52.049, 248.022
Unit cell angles90.00, 90.00, 120.00
Refinement procedure
Resolution27.860 - 2.500
R-factor0.188
Rwork0.188
R-free0.23600
Structure solution methodSAD
RMSD bond length0.006
RMSD bond angle1.100
Data reduction softwareDENZO
Data scaling softwareSCALEPACK
Phasing softwareSOLVE
Refinement softwareCNS (1.1)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]30.0002.590
High resolution limit [Å]2.5002.500
Rmerge0.0600.160
Number of reflections25627
<I/σ(I)>17.89
Completeness [%]97.587.3
Redundancy2.92
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP5.629115% PEG 4K, 100MM SODIUM CITRATE PH5.6, 10% ISOPROPANOL, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 291K, pH 5.60

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