6GQ5
Crystal Structure of the PSMalpha3 Peptide Mutant L15A Forming Cross-Alpha Amyloid-like Fibril
Experimental procedure
| 実験手法 | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE MASSIF-3 |
| Synchrotron site | ESRF |
| Beamline | MASSIF-3 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-11-10 |
| Detector | DECTRIS EIGER R 4M |
| Wavelength(s) | 0.9677 |
| Spacegroup name | P 1 21 1 |
| 格子定数 [Å] | 28.410, 10.670, 29.600 |
| 格子定数 [度] | 90.00, 105.87, 90.00 |
精密化法
| 残基 | 17.470 - 1.500 |
| R因子 | 0.1995 |
| Rwork | 0.194 |
| R-free | 0.24490 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5i55 |
| 結合長の平均二乗偏差(RMSD) [Å] | 0.019 |
| 結合角の平均二乗偏差(RMSD) [度] | 1.692 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC |
Quality characteristics
| Overall | Inner shell | Outer shell | |
| 分解能 [Å] (低) | 17.470 | 17.470 | 1.540 |
| 分解能 [Å] (高) | 1.500 | 6.710 | 1.500 |
| Rmerge_l_obs | 0.137 | 0.044 | 0.559 |
| Rmeas | 0.171 | 0.055 | 0.692 |
| 独立反射数 | 2854 | 41 | 207 |
| <I/σ(I)> | 4.09 | 6.99 | 1.56 |
| 完全性 [%] | 96.3 | 87.2 | 95 |
| 冗長性 | 2.68 | 2.293 | 2.652 |
| CC(1/2) | 0.987 | 0.998 | 0.851 |
結晶化条件
| 結晶ID | 方法 | pH | 温度 | 溶液条件 |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | Reservoir contained 0.1 M CAPS pH 10.5, 40% v/v 2-Methyl-2,4-pentanediol |
