1K2L
STRUCTURAL CHARACTERIZATION OF BISINTERCALATION IN HIGHER-ORDER DNA AT A JUNCTION-LIKE QUADRUPLEX
Experimental procedure
| 実験手法 | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE X31 |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | X31 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 1996-11-15 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.979 |
| Spacegroup name | C 2 2 2 |
| 格子定数 [Å] | 29.507, 53.738, 40.061 |
| 格子定数 [度] | 90.00, 90.00, 90.00 |
精密化法
| 残基 | 9.000 - 2.400 |
| R因子 | 0.2452 |
| Rwork | 0.239 |
| R-free | 0.30940 * |
| Structure solution method | MOLECULAR REPLACEMENT |
| 結合長の平均二乗偏差(RMSD) [Å] | 0.026 |
| 結合角の平均二乗偏差(RMSD) [度] | 0.000 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Refinement software | SHELXL |
Quality characteristics
| Overall | Outer shell | |
| 分解能 [Å] (低) | 13.500 | 2.360 |
| 分解能 [Å] (高) | 2.350 * | 2.280 |
| Rmerge_l_obs | 0.074 * | |
| 独立反射数 | 2063 | |
| <I/σ(I)> | 11.57 | |
| 完全性 [%] | 88.1 | 93.8 |
結晶化条件
| 結晶ID | 方法 | pH | 温度 | 溶液条件 |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 285 | Sodium cacodylate buffer, magnesium acetate, cobalt chloride, spermine, MPD, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 285.0K |
結晶化試薬
| ID | 結晶ID | 濃度 | 試薬名 | 濃度 (単位) | 詳細 |
| 1 | 1 | 1 | Sodium cacodylate buffer | ||
| 2 | 1 | 1 | magnesium acetate | ||
| 3 | 1 | 1 | COCl2 | ||
| 4 | 1 | 1 | spermine | ||
| 5 | 1 | 1 | MPD | ||
| 6 | 1 | 2 | magnesium acetate | ||
| 7 | 1 | 2 | COCl2 | ||
| 8 | 1 | 2 | MPD |
文献の結晶化試薬
| ID | 結晶ID | 溶液 | 試薬名 | 濃度 (単位) (単位) | 詳細 |
| 1 | 1 | drop | sodium cacodylate | 20 (mM) | pH6.5 |
| 2 | 1 | drop | DNA duplex | 0.5 (mM) | |
| 3 | 1 | drop | bis-DACA | 0.25 (mM) | |
| 4 | 1 | drop | magnesium acetate | 1 (mM) | |
| 5 | 1 | drop | 2 (mM) | ||
| 6 | 1 | drop | spermine | 6 (mM) | |
| 7 | 1 | drop | MPD | 2 (%(v/v)) | |
| 8 | 1 | reservoir | 10 (%) |
