6G8Q
14-3-3sigma in complex with a A130beta3A and Q133beta3Q mutated YAP pS127 phosphopeptide
Experimental procedure
| 実験手法 | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PETRA III, DESY BEAMLINE P11 |
| Synchrotron site | PETRA III, DESY |
| Beamline | P11 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-07-18 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 1.0332 |
| Spacegroup name | C 2 2 21 |
| 格子定数 [Å] | 82.108, 111.900, 62.620 |
| 格子定数 [度] | 90.00, 90.00, 90.00 |
精密化法
| 残基 | 55.950 - 1.850 |
| R因子 | 0.1456 |
| Rwork | 0.144 |
| R-free | 0.17540 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3mhr |
| Data reduction software | MOSFLM |
| Data scaling software | Aimless (0.6.2) |
| Phasing software | PHASER (2.8.1) |
| Refinement software | PHENIX |
Quality characteristics
| Overall | Inner shell | Outer shell | |
| 分解能 [Å] (低) | 66.200 | 66.200 | 1.890 |
| 分解能 [Å] (高) | 1.850 | 9.060 | 1.850 |
| Rmerge_l_obs | 0.126 | 0.068 | 0.665 |
| Rmeas | 0.132 | 0.072 | 0.718 |
| Rpim | 0.039 | 0.023 | 0.259 |
| Total number of observations | 275807 | 2630 | 9916 |
| 独立反射数 | 24839 | 260 | 1364 |
| <I/σ(I)> | 12.6 | 22.8 | 2.7 |
| 完全性 [%] | 99.3 | 99.9 | 90.8 |
| 冗長性 | 11.1 | 10.1 | 7.3 |
| CC(1/2) | 0.995 | 0.993 | 0.770 |
結晶化条件
| 結晶ID | 方法 | pH | 温度 | 溶液条件 |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277 | 0.095 M HEPES, pH 7.1, 29% PEG 400, 0.19 M CaCl2, 5% glycerol |
