5AVX
Kinetics by X-ray crystallography: Tl+-substitution of bound K+ in the E2.MgF42-.2K+ crystal after 20 min
Experimental procedure
| 実験手法 | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL41XU |
| Synchrotron site | SPring-8 |
| Beamline | BL41XU |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-12-10 |
| Detector | RAYONIX MX225HE |
| Wavelength(s) | 0.9785 |
| Spacegroup name | C 1 2 1 |
| 格子定数 [Å] | 221.053, 50.768, 163.397 |
| 格子定数 [度] | 90.00, 103.67, 90.00 |
精密化法
| 残基 | 15.000 - 3.300 |
| R因子 | 0.315 |
| Rwork | 0.315 |
| R-free | 0.31200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2zxe |
| 結合長の平均二乗偏差(RMSD) [Å] | 0.009 |
| 結合角の平均二乗偏差(RMSD) [度] | 1.100 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS (1.2) |
| Refinement software | CNS (1.2) |
Quality characteristics
| Overall | Outer shell | |
| 分解能 [Å] (低) | 50.000 | 3.410 |
| 分解能 [Å] (高) | 3.300 | 3.300 |
| 独立反射数 | 23034 | |
| <I/σ(I)> | 16 | |
| 完全性 [%] | 84.3 | |
| 冗長性 | 3.3 |
結晶化条件
| 結晶ID | 方法 | pH | 温度 | 溶液条件 |
| 1 | MICRODIALYSIS | 7 | 298 | PEG 3000, MPD, potassium acetate, potassium chloride, magnesium chloride, potassium fluoride, MES/TRIS |
