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1NO6

Potent, Selective Protein Tyrosine Phosphatase 1B Inhibitor Compound 5 Using a Linked-Fragment Strategy

Experimental procedure
実験手法SINGLE WAVELENGTH
Source typeROTATING ANODE
Source detailsRIGAKU RU300
Temperature [K]100
Detector technologyIMAGE PLATE
Collection date2000-02-05
DetectorMARRESEARCH
Wavelength(s)1.5418
Spacegroup nameP 31 2 1
格子定数 [Å]88.900, 88.900, 105.680
格子定数 [度]90.00, 90.00, 120.00
精密化法
残基19.250 - 2.400
R因子0.204
Rwork0.202
R-free0.26700
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1TYR and initial internal refinement.
結合長の平均二乗偏差(RMSD) [Å]0.012
結合角の平均二乗偏差(RMSD) [度]23.000

*

Data scaling softwareHKL-2000
Phasing softwareCNX (2000)
Refinement softwareCNX (2000)
Quality characteristics
 OverallOuter shell
分解能 [Å] (低)20.0002.430
分解能 [Å] (高)2.3502.350
Rmerge_l_obs0.0610.480
独立反射数18998
<I/σ(I)>29.22.6
完全性 [%]92.494.1
冗長性5.63.9
結晶化条件
結晶ID方法pH温度溶液条件
1unknown

*

7.1277Precipitant buffer 100 mM Hepes, 0.2 M Magnesium Acetate, 14% PEG8000, pH 7.1, VAPOR DIFFUSION, HANGING DROP, temperature 277K
文献の結晶化試薬
ID結晶ID溶液試薬名濃度 (単位) (単位)詳細
111protein3-4 (mg/ml)
211dithiothreitol2-4 (mM)

225158

件を2024-09-18に公開中

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