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. |
