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2ZTH

Crystal structure of holo form of rat catechol-o-methyltransferase

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsSPRING-8 BEAMLINE BL32B2
Synchrotron siteSPring-8
BeamlineBL32B2
Temperature [K]100
Detector technologyCCD
Collection date2003-05-26
DetectorRIGAKU JUPITER 210
Wavelength(s)1.000
Spacegroup nameP 21 21 21
Unit cell lengths32.903, 61.089, 105.369
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution39.900 - 2.600
R-factor0.19573
Rwork0.187
R-free0.28053
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1vid
RMSD bond length0.016
RMSD bond angle2.002
Data reduction softwareMOSFLM
Data scaling softwareSCALA
Phasing softwareAMoRE
Refinement softwareREFMAC (5.2.0005)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]52.8502.740
High resolution limit [Å]2.6002.600
Rmerge0.1010.374
Number of reflections6906
<I/σ(I)>145.1
Completeness [%]100.0100
Redundancy6.87.1
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP6.52980.2M (NH4)2SO4, 26% PEG 8000, 0.2% Sucrose, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K

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