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4BKZ

Crystal structure of unphosphorylated Maternal Embryonic Leucine zipper Kinase (MELK) in complex with a benzodipyrazole inhibitor

Experimental procedure
実験手法SINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsESRF BEAMLINE ID23-1
Synchrotron siteESRF
BeamlineID23-1
Temperature [K]100
Detector technologyCCD
Collection date2010-04-15
DetectorADSC QUANTUM 4
Spacegroup nameP 21 21 21
格子定数 [Å]60.440, 63.150, 95.310
格子定数 [度]90.00, 90.00, 90.00
精密化法
残基52.640 - 2.200
R因子0.20068
Rwork0.199
R-free0.24023
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1zmu
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]1.577
Data reduction softwareMOSFLM
Data scaling softwareSCALA
Phasing softwarePHASER
Refinement softwareREFMAC (5.6.0117)
Quality characteristics
 OverallOuter shell
分解能 [Å] (低)60.4402.320
分解能 [Å] (高)2.2002.200
Rmerge_l_obs0.0700.480
独立反射数18810
<I/σ(I)>11.63.2
完全性 [%]98.799.5
冗長性4.54.6
結晶化条件
結晶ID方法pH温度溶液条件
110% PEG 3350, 0.1M BIS-TRIS PH 6.5, 0.2M SODIUM CHLORIDE

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件を2024-09-18に公開中

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