4R45
Racemic crystal structure of a bimolecular DNA G-quadruplex (P-1)
Experimental procedure
| 実験手法 | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-12-23 |
| Detector | DECTRIS PILATUS 200K |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P -1 |
| 格子定数 [Å] | 27.646, 28.300, 45.719 |
| 格子定数 [度] | 104.50, 94.19, 113.42 |
精密化法
| 残基 | 25.020 - 1.900 |
| R因子 | 0.28797 |
| Rwork | 0.286 |
| R-free | 0.34003 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2hbn |
| 結合長の平均二乗偏差(RMSD) [Å] | 0.007 |
| 結合角の平均二乗偏差(RMSD) [度] | 1.049 |
| Data reduction software | CrystalClear |
| Data scaling software | CrystalClear |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0049) |
Quality characteristics
| Overall | Outer shell | |
| 分解能 [Å] (低) | 25.020 | 1.970 |
| 分解能 [Å] (高) | 1.900 | 1.900 |
| Rmerge_l_obs | 0.063 | 0.123 |
| 独立反射数 | 9011 | |
| <I/σ(I)> | 7.81 | 2.66 |
| 完全性 [%] | 94.9 | 95.66 |
| 冗長性 | 1.7 | 1.5 |
結晶化条件
| 結晶ID | 方法 | pH | 温度 | 溶液条件 |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.6 | 285 | 1 mM DNA, 50 mM potassium cacodylate, 40 mM potassium chloride, 50 mM magnesium chloride hexahydrate, 2.5 mM spermine, 5% v/v MPD, pH 6.6, VAPOR DIFFUSION, HANGING DROP, temperature 285K |
