1KQR
Crystal Structure of the Rhesus Rotavirus VP4 Sialic Acid Binding Domain in Complex with 2-O-methyl-alpha-D-N-acetyl neuraminic acid
Experimental procedure
| 実験手法 | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 14-BM-C |
| Synchrotron site | APS |
| Beamline | 14-BM-C |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2001-03-02 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 41 21 2 |
| 格子定数 [Å] | 48.027, 48.027, 130.404 |
| 格子定数 [度] | 90.00, 90.00, 90.00 |
精密化法
| 残基 | 25.000 - 1.400 |
| R因子 | 0.169 * |
| Rwork | 0.169 |
| R-free | 0.18100 |
| Structure solution method | SIR |
| 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] | 1.858 * |
| Data reduction software | DENZO |
| Data scaling software | HKL-2000 |
| Phasing software | CNS |
| Refinement software | CNS |
Quality characteristics
| Overall | Outer shell | |
| 分解能 [Å] (低) | 30.000 | 1.430 |
| 分解能 [Å] (高) | 1.400 | 1.400 |
| Rmerge_l_obs | 0.050 | 0.251 |
| 独立反射数 | 31002 | 1993 * |
| <I/σ(I)> | 37.4 | 5.51 |
| 完全性 [%] | 99.5 | 98.3 |
| 冗長性 | 8.25 | 5.71 |
結晶化条件
| 結晶ID | 方法 | pH | 温度 | 溶液条件 |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 * | 303 | ammonium sulfate, PEG 400, NaCl, NaPO4, Pipes, Tris, 2-O-methyl-alpha-D-N-acetyl neuraminic acid, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 303K |
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 | protein | 17.6 (mg/ml) | |
| 10 | 1 | reservoir | PEG400 | 2.3-2.5 (%) | |
| 11 | 1 | reservoir | PIPES | 100 (mM) | pH6.5 |
| 2 | 1 | drop | sialoside | 52 (mM) | |
| 3 | 1 | drop | Tris-HCl | 5.6 (mM) | pH8.0 |
| 4 | 1 | drop | sodium phosphate | 14 (mM) | pH7.0 |
| 5 | 1 | drop | 35 (mM) | ||
| 6 | 1 | drop | EDTA | 0.3 (mM) | |
| 7 | 1 | drop | sodium azide | 0.02 (%) | |
| 8 | 1 | drop | benzamidine | 0.1 (mM) | |
| 9 | 1 | reservoir | ammonium sulfate | 1.60-1.75 (M) |
