9AX9
Crystal Structure of Enterovirus 68 3C Protease C147A Mutant with 3B3C peptide at 2.00 Angstroms
Experimental procedure
| 実験手法 | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS-II BEAMLINE 17-ID-2 |
| Synchrotron site | NSLS-II |
| Beamline | 17-ID-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-01-24 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.9 |
| Spacegroup name | P 1 21 1 |
| 格子定数 [Å] | 39.784, 103.343, 43.213 |
| 格子定数 [度] | 90.00, 110.80, 90.00 |
精密化法
| 分解能 | 30.190 - 2.000 |
| R因子 | 0.1833 |
| Rwork | 0.181 |
| R-free | 0.22820 |
| Structure solution method | MOLECULAR REPLACEMENT |
| 結合長の平均二乗偏差(RMSD) [Å] | 0.002 |
| 結合角の平均二乗偏差(RMSD) [度] | 0.482 |
| Data reduction software | CrysalisPro |
| Data scaling software | CrysalisPro |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.20.1_4487) |
Quality characteristics
| Overall | Outer shell | |
| 分解能 [Å] (低) | 31.830 | 2.070 |
| 分解能 [Å] (高) | 2.000 | 2.000 |
| Rmerge_l_obs | 0.029 | 0.163 |
| Rmeas | 0.041 | 0.231 |
| Rpim | 0.029 | 0.163 |
| 独立反射数 | 21924 | 2200 |
| <I/σ(I)> | 15 | 4.3 |
| 完全性 [%] | 99.5 | 100 |
| 冗長性 | 2 | 1.9 |
| CC(1/2) | 0.998 | 0.942 |
結晶化条件
| 結晶ID | 方法 | pH | 温度 | 溶液条件 |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293.15 | 0.1M BisTris Propane 0.2M Potassium Thiocyanate PEG3350 12-30% |
