1T7B
Crystal structure of mutant Lys8Gln of scorpion alpha-like neurotoxin BmK M1 from Buthus martensii Karsch
Experimental procedure
| 実験手法 | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | SIEMENS |
| Temperature [K] | 293 |
| Detector technology | IMAGE PLATE |
| Collection date | 2002-10-08 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 2 |
| 格子定数 [Å] | 47.589, 44.056, 25.510 |
| 格子定数 [度] | 90.00, 90.00, 90.00 |
精密化法
| 残基 | 30.000 - 1.850 |
| R因子 | 0.17 |
| Rwork | 0.170 |
| R-free | 0.19600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1sn1 |
| 結合長の平均二乗偏差(RMSD) [Å] | 0.008 |
| 結合角の平均二乗偏差(RMSD) [度] | 1.500 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS (1.1) |
Quality characteristics
| Overall | Outer shell | |
| 分解能 [Å] (低) | 30.000 | 1.920 |
| 分解能 [Å] (高) | 1.850 | 1.850 |
| Rmerge_l_obs | 0.083 | 0.283 |
| 独立反射数 | 4831 | |
| <I/σ(I)> | 22 | 6 |
| 完全性 [%] | 97.6 | 93.8 |
| 冗長性 | 5.8 | 4.7 |
結晶化条件
| 結晶ID | 方法 | pH | 温度 | 溶液条件 |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | PEG8000, sodium cacodylate, ammonium sulfate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
