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5QRS

PanDDA analysis group deposition -- Crystal Structure of human Brachyury in complex with Z1891773393

Experimental procedure
実験手法SINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsDIAMOND BEAMLINE I04-1
Synchrotron siteDiamond
BeamlineI04-1
Temperature [K]100
Detector technologyPIXEL
Collection date2018-07-21
DetectorDECTRIS PILATUS 6M
Wavelength(s)0.91587
Spacegroup nameP 41 2 2
格子定数 [Å]59.871, 59.871, 110.259
格子定数 [度]90.00, 90.00, 90.00
精密化法
残基59.870 - 2.060
R因子0.2156
Rwork0.213
R-free0.26050
Structure solution methodFOURIER SYNTHESIS
Starting model (for MR)6f58
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]1.450
Data reduction softwareXDS
Data scaling softwareAimless (0.7.1)
Phasing softwareREFMAC
Refinement softwareREFMAC (5.8.0238)
Quality characteristics
 OverallInner shellOuter shell
分解能 [Å] (低)110.250110.2502.110
分解能 [Å] (高)2.0609.2102.060
Rmerge_l_obs0.4280.0765.119
Rmeas0.4480.0815.370
Rpim0.1290.0271.605
Total number of observations156038204310508
独立反射数13075
<I/σ(I)>10.321.92.8
完全性 [%]100.099.9100
冗長性11.910.211.3
CC(1/2)0.9890.9840.467
結晶化条件
結晶ID方法pH温度溶液条件
1VAPOR DIFFUSION, SITTING DROP4.52980.1 M CdCl, 0.1 M Acetate pH 4.5, 32% PEG 400

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件を2024-09-18に公開中

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