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3PCC

STRUCTURE OF PROTOCATECHUATE 3,4-DIOXYGENASE COMPLEXED WITH 4-HYDROXYBENZOATE

Experimental procedure
Source typeROTATING ANODE
Source detailsRIGAKU RUH2R
Temperature [K]293
Detector technologyAREA DETECTOR
Collection date1994-03-24
DetectorSIEMENS
Spacegroup nameI 1 2 1
Unit cell lengths197.410, 127.970, 134.880
Unit cell angles90.00, 97.80, 90.00
Refinement procedure
Resolution6.000 - 1.980
R-factor0.163

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Rwork0.163
Structure solution methodNATIVE MODEL PHASES
RMSD bond length0.018
RMSD bond angle0.018
Data reduction softwareXENGEN
Data scaling softwareXENGEN
Refinement softwarePROLSQ
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]15.0002.060
High resolution limit [Å]1.9801.980
Rmerge0.174

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Total number of observations376750

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Number of reflections156351
<I/σ(I)>11.141.3
Completeness [%]67.732.2
Redundancy2.41.34
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1interface diffusion

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8.420

*

or hanging drop vapor diffusion, Ohlendorf, D.H., (1994) J.Mol.Biol., 244, 586.

*

Crystallization Reagents in Literatures
IDcrystal IDsolutionreagent nameconcentration (unit)details
11dropprotein20-75 (mg/ml)
21reservoirammonium sulfate1.5-1.8 (M)
31reservoirTris-HCl50 (mM)
41reservoirbeta-mercaptoethanol10 (mM)

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