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1OUK

The structure of p38 alpha in complex with a pyridinylimidazole inhibitor

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsAPS BEAMLINE 17-ID
Synchrotron siteAPS
Beamline17-ID
Temperature [K]100
Detector technologyCCD
Collection date2000-06-08
DetectorMARRESEARCH
Wavelength(s)1.0
Spacegroup nameP 21 21 21
Unit cell lengths45.702, 88.038, 126.047
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution30.000 - 2.500
R-factor0.217
Rwork0.213
R-free0.26400
Structure solution methodFOURIER SYNTHESIS
Starting model (for MR)1wfc
RMSD bond length0.012
RMSD bond angle22.200

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Data reduction softwareX-GEN
Data scaling softwareX-GEN
Phasing softwareCNS
Refinement softwareCNS
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]35.0002.600
High resolution limit [Å]2.5002.500
Rmerge0.102

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0.378

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Number of reflections182472982

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<I/σ(I)>81.6
Completeness [%]99.799.7
Redundancy5.85.7
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1Vapor diffusion

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7.5

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298Wilson, K.P., (1996) J.Biol.Chem., 271, 27696.

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Crystallization Reagents in Literatures
IDcrystal IDsolutionreagent nameconcentration (unit)details
11dropprotein24 (mg/ml)
101reservoirsodium citrate0.56 (M)
111reservoirammonium sulfate130 (mM)
21dropHEPES30 (mM)
31dropDTT6 (mM)
41drop0.06 (M)
51dropglycerol3 (%)
61dropNa HEPES16 (mM)
71dropsodium citrate0.224 (M)
81dropammonium sulfate52 (mM)
91reservoirNa HEPES40 (mM)

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