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6GGH

Human jak1 kinase domain in complex with inhibitor

Experimental procedure
実験手法SINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsSLS BEAMLINE X06SA
Synchrotron siteSLS
BeamlineX06SA
Temperature [K]100
Detector technologyPIXEL
Collection date2013-12-20
DetectorDECTRIS PILATUS3 X 1M
Wavelength(s)0.9999
Spacegroup nameP 1 21 1
格子定数 [Å]42.987, 170.327, 45.026
格子定数 [度]90.00, 94.06, 90.00
精密化法
残基85.160 - 1.700
R因子0.19229
Rwork0.189
R-free0.26186
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)3eyg
結合長の平均二乗偏差(RMSD) [Å]0.009
結合角の平均二乗偏差(RMSD) [度]1.297
Data reduction softwareXDS
Data scaling softwareXSCALE
Phasing softwareAMoRE
Refinement softwareREFMAC (5.6.0117)
Quality characteristics
 OverallOuter shell
分解能 [Å] (低)85.1601.950
分解能 [Å] (高)1.7001.700
Rmerge_l_obs0.0500.440
独立反射数68097
<I/σ(I)>10.94
完全性 [%]96.496.4
冗長性2.32.3
結晶化条件
結晶ID方法pH温度溶液条件
1VAPOR DIFFUSION, HANGING DROP27827% (m/v) PEG6000, 0.1 M MES/NaOH pH 6.0 and 5 mM DTT

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件を2024-09-18に公開中

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