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5C8Y

Crystal structure of T2R-TTL-Plinabulin complex

Experimental procedure
実験手法SINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsSSRF BEAMLINE BL17U
Synchrotron siteSSRF
BeamlineBL17U
Temperature [K]100
Detector technologyCCD
Collection date2014-12-08
DetectorADSC QUANTUM 315r
Wavelength(s)0.97915
Spacegroup nameP 21 21 21
格子定数 [Å]105.060, 158.444, 181.825
格子定数 [度]90.00, 90.00, 90.00
精密化法
残基39.695 - 2.594
R因子0.224
Rwork0.222
R-free0.27090
結合長の平均二乗偏差(RMSD) [Å]0.004
結合角の平均二乗偏差(RMSD) [度]0.634
Data reduction softwareHKL-3000
Data scaling softwareHKL-3000
Phasing softwarePHASER
Refinement softwarePHENIX (1.8.4_1496)
Quality characteristics
 Overall
分解能 [Å] (低)50.000
分解能 [Å] (高)2.594
独立反射数93390
<I/σ(I)>11.6
完全性 [%]99.8
冗長性4.2
結晶化条件
結晶ID方法pH温度溶液条件
1VAPOR DIFFUSION, SITTING DROP6.72936% polyethylene glycol 4000, 8% glycerol, 0.1 M MES, 30 mM CaCl2, 30 mM MgCl2, pH 6.7

217705

件を2024-03-27に公開中

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