102D
SEQUENCE-DEPENDENT DRUG BINDING TO THE MINOR GROOVE OF DNA: THE CRYSTAL STRUCTURE OF THE DNA DODECAMER D(CGCAAATTTGCG)2 COMPLEXED WITH PROPAMIDINE
Experimental procedure
| Source type | ROTATING ANODE |
| Temperature [K] | 289 |
| Detector technology | AREA DETECTOR |
| Detector | XENTRONICS |
| Spacegroup name | P 21 21 21 |
| 格子定数 [Å] | 24.780, 41.160, 65.510 |
| 格子定数 [度] | 90.00, 90.00, 90.00 |
精密化法
| 残基 | 8.000 - 2.200 |
| R因子 | 0.155 |
| Rwork | 0.155 |
| 結合長の平均二乗偏差(RMSD) [Å] | 0.022 |
| 結合角の平均二乗偏差(RMSD) [度] | 4.000 |
| Data scaling software | XENGEN |
| Refinement software | X-PLOR |
Quality characteristics
| Overall | |
| 分解能 [Å] (高) | 2.200 |
| Rmerge_l_obs | 0.053 |
| 独立反射数 | 2341 * |
結晶化条件
| 結晶ID | 方法 | pH | 温度 | 溶液条件 |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 277 | pH 7.00, VAPOR DIFFUSION, SITTING DROP, temperature 277.00K |
結晶化試薬
| ID | 結晶ID | 濃度 | 試薬名 | 濃度 (単位) | 詳細 |
| 1 | 1 | 1 | WATER | ||
| 2 | 1 | 1 | MPD | ||
| 3 | 1 | 1 | MGCL2 | ||
| 4 | 1 | 1 | NA CACODYLATE | ||
| 5 | 1 | 2 | WATER | ||
| 6 | 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 | DNA | 3 (mM) | 0.005ml |
| 2 | 1 | drop | 100 (mM) | 0.005ml | |
| 3 | 1 | drop | propamidine | 15 (mM) | 0.004ml |
| 4 | 1 | drop | MPD | 45 (%) | 0.005ml |
| 5 | 1 | reservoir | MPD | 45 (%) | 0.002ml |
