5HIX
Cocrystal structure of an anti-parallel DNA G-quadruplex and a tetra-Quinoline Foldamer
Experimental procedure
| 実験手法 | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM30A |
| Synchrotron site | ESRF |
| Beamline | BM30A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-11-07 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9796 |
| Spacegroup name | P 41 |
| 格子定数 [Å] | 31.701, 31.701, 97.373 |
| 格子定数 [度] | 90.00, 90.00, 90.00 |
精密化法
| 残基 | 30.140 - 2.480 |
| R因子 | 0.23052 |
| Rwork | 0.227 |
| R-free | 0.28784 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1jrn |
| 結合長の平均二乗偏差(RMSD) [Å] | 0.011 |
| 結合角の平均二乗偏差(RMSD) [度] | 1.668 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.8.0049) |
Quality characteristics
| Overall | Outer shell | |
| 分解能 [Å] (低) | 30.140 | 2.570 |
| 分解能 [Å] (高) | 2.480 | 2.480 |
| Rmerge_l_obs | 0.080 | 0.870 |
| 独立反射数 | 3345 | |
| <I/σ(I)> | 12.06 | 1.95 |
| 完全性 [%] | 97.7 | 88.62 |
| 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, HANGING DROP | 7 | 293 | d(GGGGTTTTGGGG), 8-amino-2-quinolinecarboxylic acid, potassium cacodylate, magnesium chloride, potassium chloride, spermine, 2-methyl-2,4-pentanediol (MPD) |
