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5UPE

Crystal structure of human NAMPT with isoindoline urea inhibitor compound 5

Experimental procedure
実験手法SINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsAPS BEAMLINE 17-ID
Synchrotron siteAPS
Beamline17-ID
Temperature [K]100
Detector technologyPIXEL
Collection date2010
DetectorDECTRIS PILATUS 6M
Wavelength(s)1.000000
Spacegroup nameP 1 21 1
格子定数 [Å]61.073, 106.448, 83.109
格子定数 [度]90.00, 96.63, 90.00
精密化法
残基28.260 - 1.930
R因子0.189
Rwork0.187
R-free0.21700
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)2gvj
結合長の平均二乗偏差(RMSD) [Å]0.010
結合角の平均二乗偏差(RMSD) [度]1.070
Data reduction softwareXDS ((VERSION May 1))
Data scaling softwareAimless
Refinement softwareBUSTER (2.11.7)
Quality characteristics
 OverallOuter shell
分解能 [Å] (低)82.5501.940
分解能 [Å] (高)1.9301.933
Rmerge_l_obs0.1020.865
Rmeas0.1220.787
Rpim0.0660.417
独立反射数78276
<I/σ(I)>8.91.5
完全性 [%]99.397.7
冗長性3.33.4
CC(1/2)0.9950.840
結晶化条件
結晶ID方法pH温度溶液条件
1VAPOR DIFFUSION, HANGING DROP27725% PEG 3350, 0.2 M ammonium sulfate, and 0.1 M HEPES, pH 7.5

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件を2024-09-18に公開中

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