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4ZZY

Structure of human PARP2 catalytic domain bound to an isoindolinone inhibitor

Experimental procedure
実験手法SINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsESRF BEAMLINE ID23-1
Synchrotron siteESRF
BeamlineID23-1
Temperature [K]100
Detector technologyPIXEL
DetectorDECTRIS PILATUS 6M
Spacegroup nameP 43 21 2
格子定数 [Å]74.377, 74.377, 148.463
格子定数 [度]90.00, 90.00, 90.00
精密化法
残基66.500 - 2.200
R因子0.21945
Rwork0.216
R-free0.28037
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)3kcz
結合長の平均二乗偏差(RMSD) [Å]0.016
結合角の平均二乗偏差(RMSD) [度]1.856
Data reduction softwareMOSFLM
Data scaling softwareSCALA
Phasing softwareMOLREP
Refinement softwareREFMAC (5.6.0117)
Quality characteristics
 OverallOuter shell
分解能 [Å] (低)30.0002.320
分解能 [Å] (高)2.2002.200
Rmerge_l_obs0.0800.450
独立反射数21921
<I/σ(I)>20.66.5
完全性 [%]99.899.9
冗長性7
結晶化条件
結晶ID方法pH温度溶液条件
125% PEG4000, 0.2M MAGNESIUM CLORIDE, 0.1 M TRIS PH 8.5

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件を2024-09-18に公開中

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