ソフトウェア | 名称 | バージョン | 分類 |
---|
CNS | 1.1 | 精密化 | MOSFLM | | データ削減 | SCALEPACK | | データスケーリング | AMoRE | | 位相決定 |
|
---|
精密化 | 構造決定の手法: 分子置換 開始モデル: PDB ENTRY 1G2I 解像度: 2.03→32.7 Å / Rfactor Rfree error: 0.005 / Isotropic thermal model: RESTRAINED / 交差検証法: THROUGHOUT / σ(F): 0
| Rfactor | 反射数 | %反射 | Selection details |
---|
Rfree | 0.237 | 2266 | 9.9 % | RANDOM |
---|
Rwork | 0.187 | - | - | - |
---|
obs | 0.187 | 22941 | 92.1 % | - |
---|
|
---|
溶媒の処理 | 溶媒モデル: FLAT MODEL / Bsol: 48.1753 Å2 / ksol: 0.32015 e/Å3 |
---|
原子変位パラメータ | Biso mean: 18.7 Å2
| Baniso -1 | Baniso -2 | Baniso -3 |
---|
1- | -2.79 Å2 | 0 Å2 | 0 Å2 |
---|
2- | - | -4.09 Å2 | 0 Å2 |
---|
3- | - | - | 6.88 Å2 |
---|
|
---|
Refine analyze | | Free | Obs |
---|
Luzzati coordinate error | 0.27 Å | 0.2 Å |
---|
Luzzati d res low | - | 5 Å |
---|
Luzzati sigma a | 0.19 Å | 0.13 Å |
---|
|
---|
精密化ステップ | サイクル: LAST / 解像度: 2.03→32.7 Å
| タンパク質 | 核酸 | リガンド | 溶媒 | 全体 |
---|
原子数 | 2832 | 0 | 0 | 404 | 3236 |
---|
|
---|
拘束条件 | Refine-ID | タイプ | Dev ideal |
---|
X-RAY DIFFRACTION | c_bond_d0.005 | X-RAY DIFFRACTION | c_bond_d_na | X-RAY DIFFRACTION | c_bond_d_prot | X-RAY DIFFRACTION | c_angle_d | X-RAY DIFFRACTION | c_angle_d_na | X-RAY DIFFRACTION | c_angle_d_prot | X-RAY DIFFRACTION | c_angle_deg1.2 | X-RAY DIFFRACTION | c_angle_deg_na | X-RAY DIFFRACTION | c_angle_deg_prot | X-RAY DIFFRACTION | c_dihedral_angle_d23.5 | X-RAY DIFFRACTION | c_dihedral_angle_d_na | X-RAY DIFFRACTION | c_dihedral_angle_d_prot | X-RAY DIFFRACTION | c_improper_angle_d0.82 | X-RAY DIFFRACTION | c_improper_angle_d_na | X-RAY DIFFRACTION | c_improper_angle_d_prot | X-RAY DIFFRACTION | c_mcbond_it | X-RAY DIFFRACTION | c_mcangle_it | X-RAY DIFFRACTION | c_scbond_it | X-RAY DIFFRACTION | c_scangle_it | | | | | | | | | | | | | | | | | | | |
|
---|
LS精密化 シェル | 解像度: 2.03→2.16 Å / Rfactor Rfree error: 0.014 / Total num. of bins used: 6
| Rfactor | 反射数 | %反射 |
---|
Rfree | 0.266 | 385 | 9.8 % |
---|
Rwork | 0.207 | 3524 | - |
---|
obs | - | - | 95.6 % |
---|
|
---|
Xplor file | Refine-ID | Serial no | Param file | Topol file |
---|
X-RAY DIFFRACTION | 1 | PROTEIN_REP.PARAMPROTEIN.TOPX-RAY DIFFRACTION | 2 | WATER_REP.PARAMWATER.TOP | | | |
|
---|