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5QRV

PanDDA analysis group deposition -- Crystal Structure of human Brachyury in complex with Z198194396

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 date2018-07-22
DetectorDECTRIS PILATUS 6M
Wavelength(s)0.91587
Spacegroup nameP 41 2 2
格子定数 [Å]60.020, 60.020, 110.050
格子定数 [度]90.00, 90.00, 90.00
精密化法
残基40.590 - 1.670
R因子0.222
Rwork0.221
R-free0.25150
Structure solution methodFOURIER SYNTHESIS
Starting model (for MR)6f58
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]1.621
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)40.56040.5601.710
分解能 [Å] (高)1.6707.4701.670
Rmerge_l_obs0.0730.0422.338
Rmeas0.0770.0442.441
Rpim0.0220.0130.694
Total number of observations305930361121229
独立反射数24137
<I/σ(I)>16.447.91.3
完全性 [%]99.999.599.8
冗長性12.710.612.2
CC(1/2)0.9990.9990.741
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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