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6GGE

p53 cancer mutant Y220C in complex with small-molecule stabilizer PK9327

Experimental procedure
実験手法SINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsDIAMOND BEAMLINE I03
Synchrotron siteDiamond
BeamlineI03
Temperature [K]100
Detector technologyPIXEL
Collection date2017-08-08
DetectorDECTRIS PILATUS3 6M
Wavelength(s)0.98
Spacegroup nameP 21 21 21
格子定数 [Å]65.075, 71.221, 105.268
格子定数 [度]90.00, 90.00, 90.00
精密化法
残基29.494 - 1.250
R因子0.150925464968
Rwork0.150
R-free0.17080
Structure solution methodFOURIER SYNTHESIS
Starting model (for MR)2j1x
結合長の平均二乗偏差(RMSD) [Å]0.005
結合角の平均二乗偏差(RMSD) [度]0.811
Data reduction softwareXDS
Data scaling softwareSCALA
Phasing softwarePHENIX
Refinement softwarePHENIX (1.10.1_2155)
Quality characteristics
 OverallOuter shell
分解能 [Å] (低)29.6001.320
分解能 [Å] (高)1.2501.250
Rmerge_l_obs0.0540.580
独立反射数129162
<I/σ(I)>13.72.8
完全性 [%]95.593
冗長性5.35.4
結晶化条件
結晶ID方法pH温度溶液条件
1VAPOR DIFFUSION, SITTING DROP293Protein solution: 6 mg/ml protein in 25 mM sodium phosphate, ph 7.2, 150 mm KCl, 5 mm DTT. Reservoir buffer: 100 mm HEPES, pH 7.2, 19% (w/v) polyethylene glycol 4000, 5 mm DTT. Soaking buffer: Saturated solution of compound in 100 mm HEPES, ph 7.2, 10 mM sodium phosphate, ph 7.2, 19% (w/v) polyethylene glycol 4000, 20 % (v/v) glycerol, 150 mm KCl.

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件を2024-09-18に公開中

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