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5A00

Structure of human PARP1 catalytic domain bound to an isoindolinone inhibitor

Experimental procedure
実験手法SINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsESRF BEAMLINE ID29
Synchrotron siteESRF
BeamlineID29
Temperature [K]100
Detector technologyCCD
Spacegroup nameI 2 2 2
格子定数 [Å]49.083, 89.392, 193.187
格子定数 [度]90.00, 90.00, 90.00
精密化法
残基30.000 - 2.750
R因子0.20856
Rwork0.205
R-free0.27963
Structure solution methodMOLECULAR REPLACEMENT
結合長の平均二乗偏差(RMSD) [Å]0.006
結合角の平均二乗偏差(RMSD) [度]1.099
Data reduction softwareMOSFLM
Data scaling softwareSCALA
Phasing softwareMOLREP
Refinement softwareREFMAC (5.6.0117)
Quality characteristics
 OverallOuter shell
分解能 [Å] (低)30.0002.900
分解能 [Å] (高)2.7502.750
Rmerge_l_obs0.0800.660
独立反射数11464
<I/σ(I)>15.93
完全性 [%]99.899.8
冗長性7.17
結晶化条件
結晶ID方法pH温度溶液条件
12772M AMMONIUM SULFATE, 2% PEG400 0.1 M TRIS PH 8.0 TEMPERATURE 277K -

217705

件を2024-03-27に公開中

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