5IM4
Crystal structure of designed two-component self-assembling icosahedral cage I52-32
Experimental procedure
| 実験手法 | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 24-ID-C |
| Synchrotron site | APS |
| Beamline | 24-ID-C |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-07-18 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.97920 |
| Spacegroup name | H 3 |
| 格子定数 [Å] | 258.820, 258.820, 641.730 |
| 格子定数 [度] | 90.00, 90.00, 120.00 |
精密化法
| 残基 | 110.724 - 3.500 |
| R因子 | 0.2275 |
| Rwork | 0.227 |
| R-free | 0.23340 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | Rosetta design generated based on the PDB files 2jfb and 3lfh but with differences |
| 結合長の平均二乗偏差(RMSD) [Å] | 0.008 |
| 結合角の平均二乗偏差(RMSD) [度] | 1.071 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER (2.5.6) |
| Refinement software | PHENIX |
Quality characteristics
| Overall | Inner shell | Outer shell | |
| 分解能 [Å] (低) | 213.900 | 213.900 | 3.590 |
| 分解能 [Å] (高) | 3.500 | 15.650 | 3.500 |
| Rmerge_l_obs | 0.132 | 0.059 | 0.674 |
| 独立反射数 | 200420 | ||
| <I/σ(I)> | 7.31 | 18.96 | 1.9 |
| 完全性 [%] | 99.1 | 96.5 | 97.5 |
| 冗長性 | 3.6 | ||
| CC(1/2) | 0.991 |
結晶化条件
| 結晶ID | 方法 | pH | 温度 | 溶液条件 |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 298 | 0.17 M potassium sodium tartrate tetrahydrate |
