3F58
IGG1 FAB FRAGMENT (58.2) COMPLEX WITH 12-RESIDUE CYCLIC PEPTIDE (INCLUDING RESIDUES 315-324 OF HIV-1 GP120 (MN ISOLATE); H315S MUTATION
Experimental procedure
実験手法 | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | MACSCIENCE M18X |
Temperature [K] | 295 |
Detector technology | AREA DETECTOR |
Collection date | 1992-05-01 |
Detector | SIEMENS |
Spacegroup name | P 21 21 2 |
格子定数 [Å] | 95.470, 115.460, 49.580 |
格子定数 [度] | 90.00, 90.00, 90.00 |
精密化法
残基 | 48.000 - 2.800 |
R因子 | 0.2 |
Rwork | 0.200 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | FAB PORTION OF 1ACY |
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 | X-GEN |
Data scaling software | X-GEN |
Phasing software | MERLOT |
Refinement software | X-PLOR (3.851) |
Quality characteristics
Overall | Outer shell | |
分解能 [Å] (低) | 47.800 | 2.980 |
分解能 [Å] (高) | 2.800 | 2.800 |
Rmerge_l_obs | 0.072 * | 0.218 * |
Total number of observations | 47266 * | |
独立反射数 | 13951 | 2259 * |
<I/σ(I)> | 13.2 | 1.5 |
完全性 [%] | 98.9 | 97.7 |
冗長性 | 3.4 | 2.4 |
結晶化条件
結晶ID | 方法 | pH | 温度 | 溶液条件 |
1 | Vapor diffusion, sitting drop * | 5 | 22.5 * | pH 5.0 |
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 | PEG4000 | 16 (%) | |
2 | 1 | reservoir | imidazole malate | 0.2 (M) | |
3 | 1 | drop | peptide | 2.4 times Fab molar | |
4 | 1 | drop | Fab | 15 (mg/ml) |