6GGE
p53 cancer mutant Y220C in complex with small-molecule stabilizer PK9327
Experimental procedure
実験手法 | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-08-08 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.98 |
Spacegroup name | P 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 |
Rwork | 0.150 |
R-free | 0.17080 |
Structure solution method | FOURIER 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 software | XDS |
Data scaling software | SCALA |
Phasing software | PHENIX |
Refinement software | PHENIX (1.10.1_2155) |
Quality characteristics
Overall | Outer shell | |
分解能 [Å] (低) | 29.600 | 1.320 |
分解能 [Å] (高) | 1.250 | 1.250 |
Rmerge_l_obs | 0.054 | 0.580 |
独立反射数 | 129162 | |
<I/σ(I)> | 13.7 | 2.8 |
完全性 [%] | 95.5 | 93 |
冗長性 | 5.3 | 5.4 |
結晶化条件
結晶ID | 方法 | pH | 温度 | 溶液条件 |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | Protein 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. |