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1ONZ

Oxalyl-aryl-Amino Benzoic acid Inhibitors of PTP1B, compound 8b

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeROTATING ANODE
Source detailsRIGAKU RU200
Temperature [K]100
Detector technologyCCD
Collection date2000-03-04
DetectorMARRESEARCH
Wavelength(s)1.5418
Spacegroup nameP 31 2 1
Unit cell lengths88.614, 88.614, 105.167
Unit cell angles90.00, 90.00, 120.00
Refinement procedure
Resolution19.730 - 2.400
R-factor0.226
Rwork0.193
R-free0.22300
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1TYR and initial internal refinement of other complexes
RMSD bond length0.007
RMSD bond angle22.300

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Data scaling softwareHKL-2000
Phasing softwareCNX (2000)
Refinement softwareCNX (2000)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]20.0002.280
High resolution limit [Å]2.2002.200
Rmerge0.0460.266
Number of reflections23620
<I/σ(I)>13.22.4
Completeness [%]94.895.2
Redundancy4.44.5
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP7.5

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4

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Puius, Y.A., (1997) Proc.Natl.Acad.Sci.USA, 94, 13420.

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Crystallization Reagents in Literatures
IDcrystal IDsolutionreagent nameconcentration (unit)details
11dropprotein5 (mg/ml)
101reservoirHEPES0.1 (mM)
111reservoirmagnesium acetate0.2 (M)
121reservoirPEG800012-14 (%(w/v))
21dropTris-HCl5 (mM)
31drop12.5 (mM)
41dropEDTA0.1 (mM)
51dropdithiothreitol1.5 (mM)
61dropBPPM1.7 (mM)
71dropHEPES0.05 (mM)
81dropmagnesium acetate0.1 (M)
91dropPEG80006-7 (%(w/v))

221716

PDB entries from 2024-06-26

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