Loading
PDBj
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help

5P9X

humanized rat catechol O-methyltransferase in complex with N-[1-[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]propan-2-yl]-5-(4-fluorophenyl)-2,3-dihydroxybenzamide

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsSLS BEAMLINE X10SA
Synchrotron siteSLS
BeamlineX10SA
Temperature [K]100
Detector technologyPIXEL
Collection date2010-02-01
DetectorPSI PILATUS 6M
Wavelength(s)0.999900
Spacegroup nameP 21 21 21
Unit cell lengths49.964, 54.087, 80.776
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution42.490 - 1.120
R-factor0.1607
Rwork0.160
R-free0.18400
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)inhouse model
RMSD bond length0.019
RMSD bond angle1.855
Data reduction softwareXDS
Data scaling softwareXSCALE
Phasing softwarePHASER
Refinement softwareREFMAC (5.6.0041)
Data quality characteristics
 OverallInner shellOuter shell
Low resolution limit [Å]42.49042.4901.150
High resolution limit [Å]1.1205.0101.120
Rmerge0.0820.0430.927
Rmeas0.0900.0471.047
Total number of observations498356
Number of reflections8353510815181
<I/σ(I)>10.1727.881.37
Completeness [%]98.499.483.4
Redundancy5.97
CC(1/2)0.9980.9980.449
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP9295AMMONIUM SULPHATE, CHES, PH 9

222415

PDB entries from 2024-07-10

PDB statisticsPDBj update infoContact PDBjnumon