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3DU8

Crystal structure of GSK-3 beta in complex with NMS-869553A

Experimental procedure
実験手法SINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsESRF BEAMLINE ID23-1
Synchrotron siteESRF
BeamlineID23-1
Temperature [K]100
Detector technologyCCD
Collection date2008-03-06
DetectorADSC QUANTUM 315
Wavelength(s)1.0090
Spacegroup nameP 21 21 21
格子定数 [Å]82.599, 85.810, 178.043
格子定数 [度]90.00, 90.00, 90.00
精密化法
残基30.000 - 2.200
R因子0.215
Rwork0.214
R-free0.24600
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1q3d
結合長の平均二乗偏差(RMSD) [Å]0.018
結合角の平均二乗偏差(RMSD) [度]1.625
Data reduction softwareDENZO
Data scaling softwareSCALEPACK
Phasing softwarePHASER
Refinement softwareREFMAC
Quality characteristics
 OverallOuter shell
分解能 [Å] (低)30.0002.280
分解能 [Å] (高)2.2002.200
Rmerge_l_obs0.0820.446
独立反射数58862
<I/σ(I)>12
完全性 [%]90.547.2
結晶化条件
結晶ID方法pH温度溶液条件
1VAPOR DIFFUSION, HANGING DROP829320% w/v PEG 3350, 100 mM Hepes pH 8.0, 20 mM MgCl2, 10% v/v Glycerol, VAPOR DIFFUSION, HANGING DROP, temperature 293K

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件を2024-09-18に公開中

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