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4BZN

Crystal structure of PIM1 in complex with a Pyrrolo(1,2-a)Pyrazinone inhibitor

Experimental procedure
実験手法SINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsESRF BEAMLINE ID14-4
Synchrotron siteESRF
BeamlineID14-4
Temperature [K]100
Detector technologyCCD
Collection date2008-04-29
DetectorMARRESEARCH
Spacegroup nameP 65
格子定数 [Å]96.802, 96.802, 79.995
格子定数 [度]90.00, 90.00, 120.00
精密化法
残基30.000 - 1.900
R因子0.17766
Rwork0.177
R-free0.19879
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1yxt
結合長の平均二乗偏差(RMSD) [Å]0.008
結合角の平均二乗偏差(RMSD) [度]1.341
Data reduction softwareDENZO
Data scaling softwareSCALEPACK
Phasing softwareMOLREP
Refinement softwareREFMAC (5.6.0117)
Quality characteristics
 OverallOuter shell
分解能 [Å] (低)30.0001.970
分解能 [Å] (高)1.9001.900
Rmerge_l_obs0.0600.470
独立反射数33517
<I/σ(I)>12.32.7
完全性 [%]99.799.6
冗長性3.6
結晶化条件
結晶ID方法pH温度溶液条件
120% PEG 3350K, 0.3 M NACL, 0.1 M TRISHCL PH 7.6

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件を2024-09-18に公開中

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