1MXE
Structure of the Complex of Calmodulin with the Target Sequence of CaMKI
Experimental procedure
| 実験手法 | MAD |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-1 |
| Synchrotron site | ESRF |
| Beamline | ID14-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2002-06-09 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.934, 0.9500, 0.9791, 0.9794 |
| Spacegroup name | P 21 21 21 |
| 格子定数 [Å] | 65.712, 69.581, 75.344 |
| 格子定数 [度] | 90.00, 90.00, 90.00 |
精密化法
| 残基 | 30.000 * - 1.700 |
| R因子 | 0.18998 |
| Rwork | 0.188 |
| R-free | 0.22800 * |
| Structure solution method | MAD |
| 結合長の平均二乗偏差(RMSD) [Å] | 0.010 |
| 結合角の平均二乗偏差(RMSD) [度] | 1.205 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SOLVE |
| Refinement software | REFMAC (5.0) |
Quality characteristics
| Overall | Outer shell | |
| 分解能 [Å] (低) | 30.000 | 1.760 |
| 分解能 [Å] (高) | 1.700 | 1.700 |
| Rmerge_l_obs | 0.077 | 0.217 |
| 独立反射数 | 38674 | |
| 完全性 [%] | 99.9 | 100 |
| 冗長性 | 23.1 * |
結晶化条件
| 結晶ID | 方法 | pH | 温度 | 溶液条件 |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.8 * | 16 * | Cacodylate, Calcium chloride, MPD, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 289K |
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 | protein | 18 (mg/ml) | |
| 2 | 1 | drop | Tris | 20 (mM) | pH7.8 |
| 3 | 1 | drop | 30 (mM) | ||
| 4 | 1 | drop | 1 (mM) | ||
| 5 | 1 | reservoir | sodium cacodylate | 50 (mM) | pH5.5 |
| 6 | 1 | reservoir | 5 (mM) | ||
| 7 | 1 | reservoir | MPD | 53-60 (%) |
