1NU9
Staphylocoagulase-Prethrombin-2 complex
Experimental procedure
実験手法 | MAD |
Source type | SYNCHROTRON |
Source details | MPG/DESY, HAMBURG BEAMLINE BW6 |
Synchrotron site | MPG/DESY, HAMBURG |
Beamline | BW6 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2002-08-01 |
Detector | MARRESEARCH |
Wavelength(s) | 1.0092, 1.0000, 0.9500 |
Spacegroup name | C 1 2 1 |
格子定数 [Å] | 181.160, 102.340, 135.540 |
格子定数 [度] | 90.00, 129.91, 90.00 |
精密化法
残基 | 19.980 - 2.200 |
R因子 | 0.217 |
Rwork | 0.210 |
R-free | 0.25300 |
Structure solution method | MAD |
結合長の平均二乗偏差(RMSD) [Å] | 0.011 |
結合角の平均二乗偏差(RMSD) [度] | 1.600 |
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] (高) | 2.100 * | |
Rmerge_l_obs | 0.039 * | 0.260 * |
独立反射数 | 110836 * | |
完全性 [%] | 91.1 * | 83.4 * |
結晶化条件
結晶ID | 方法 | pH | 温度 | 溶液条件 |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 291 | 100mM imidazole, 200mM sodium formate, 12%(w/v) PEG 4000, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
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 | imidazole | 100 (%(v/v)) | pH7.5 |
2 | 1 | reservoir | sodium formate | 200 (mM) | |
3 | 1 | reservoir | PEG4000 | 12 (%(w/v)) |