Experimental procedure
実験手法 | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2000-06-02 |
Detector | SBC-2 |
Spacegroup name | P 41 21 2 |
格子定数 [Å] | 401.375, 401.375, 175.887 |
格子定数 [度] | 90.00, 90.00, 90.00 |
精密化法
残基 | 99.000 * - 3.050 |
R因子 | 0.208 * |
Rwork | 0.208 |
R-free | 0.25200 |
Structure solution method | MIRAS |
結合長の平均二乗偏差(RMSD) [Å] | 0.006 |
結合角の平均二乗偏差(RMSD) [度] | 28.510 * |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | SOLVE |
Refinement software | CNS |
Quality characteristics
Overall | Outer shell | |
分解能 [Å] (低) | 59.761 | 3.160 |
分解能 [Å] (高) | 3.050 | 3.050 |
Rmerge_l_obs | 0.108 * | 0.490 * |
Total number of observations | 840101 * | |
独立反射数 | 254610 | |
<I/σ(I)> | 8.1 | 1.4 |
完全性 [%] | 94.0 | 81.7 * |
冗長性 | 2.7 | 2.1 |
結晶化条件
結晶ID | 方法 | pH | 温度 | 溶液条件 |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 * | 4 * | Trakhanov, S.D., (1987) FEBS Lett., 220, 319. * |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 * | 4 * | Trakhanov, S.D., (1987) FEBS Lett., 220, 319. * |
結晶化試薬
ID | 結晶ID | 濃度 | 試薬名 | 濃度 (単位) | 詳細 |
1 | 1 | 1 | NH4Cl | ||
10 | 1 | 2 | magnesium acetate | ||
11 | 1 | 2 | sodium cacodylate | ||
12 | 1 | 2 | MPD | ||
2 | 1 | 1 | KCl | ||
3 | 1 | 1 | CaCl2 | ||
4 | 1 | 1 | magnesium acetate | ||
5 | 1 | 1 | sodium cacodylate | ||
6 | 1 | 1 | MPD | ||
7 | 1 | 2 | NH4Cl | ||
8 | 1 | 2 | KCl | ||
9 | 1 | 2 | CaCl2 |
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 | reservoir | 250 (mM) | ||
10 | 1 | drop | 75 (mM) | ||
11 | 1 | drop | 200 (mM) | ||
12 | 1 | drop | 10 (%) | ||
2 | 1 | reservoir | 75 (mM) | ||
3 | 1 | reservoir | 25 (mM) | ||
4 | 1 | reservoir | 2-mercaptoethanol | 6 (mM) | |
5 | 1 | reservoir | potassium cacodylate | 0.1 (M) | or 0.1M MES |
6 | 1 | reservoir | 13-17 (%) | ||
7 | 1 | drop | protein | 10 (mg/ml) | |
8 | 1 | drop | Tris-HCl | 20 (mM) | |
9 | 1 | drop | 25 (mM) |