1CHZ
A NEW NEUROTOXIN FROM BUTHUS MARTENSII KARSCH
Experimental procedure
実験手法 | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU200 |
Temperature [K] | 293 |
Spacegroup name | P 21 21 21 |
格子定数 [Å] | 36.640, 37.310, 37.950 |
格子定数 [度] | 90.00, 90.00, 90.00 |
精密化法
残基 | 20.000 - 1.760 |
R因子 | 0.19 * |
Rwork | 0.190 |
R-free | 0.24800 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1snb |
結合長の平均二乗偏差(RMSD) [Å] | 0.015 |
結合角の平均二乗偏差(RMSD) [度] | 26.850 * |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | X-PLOR |
Refinement software | X-PLOR (3.851) |
Quality characteristics
Overall | Outer shell | |
分解能 [Å] (低) | 20.000 | 1.820 |
分解能 [Å] (高) | 1.760 | 1.760 |
Rmerge_l_obs | 0.100 | 0.340 * |
Total number of observations | 11634 * | |
独立反射数 | 5004 | |
完全性 [%] | 90.0 | 55.3 |
冗長性 | 2.4 |
結晶化条件
結晶ID | 方法 | pH | 温度 | 溶液条件 |
1 | Vapor diffusion, hanging drop * | 7.5 | pH 7.5 |
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 | acetate | 10 (mM) | |
2 | 1 | drop | protein | 10 (mg/ml) | |
3 | 1 | reservoir | MPD | 65-70 (%) | |
4 | 1 | reservoir | Tris | 0.1 (M) | |
5 | 1 | reservoir | dioxane | 5 (%) |