1DIF
HIV-1 PROTEASE IN COMPLEX WITH A DIFLUOROKETONE CONTAINING INHIBITOR A79285
Experimental procedure
| Detector technology | IMAGE PLATE |
| Detector | RIGAKU |
| Spacegroup name | P 21 21 21 |
| 格子定数 [Å] | 52.000, 59.900, 62.100 |
| 格子定数 [度] | 90.00, 90.00, 90.00 |
精密化法
| 残基 | 10.000 - 1.700 |
| R因子 | 0.198 |
| Rwork | 0.198 |
| 結合長の平均二乗偏差(RMSD) [Å] | 0.017 |
| 結合角の平均二乗偏差(RMSD) [度] | 29.100 * |
| Data reduction software | MOSFLM |
| Phasing software | X-PLOR |
| Refinement software | X-PLOR |
Quality characteristics
| Overall | |
| 分解能 [Å] (高) | 1.700 * |
| Rmerge_l_obs | 0.092 * |
| Total number of observations | 40709 * |
| 独立反射数 | 20479 |
| 完全性 [%] | 94.9 |
| 冗長性 | 2 |
結晶化条件
| 結晶ID | 方法 | pH | 温度 | 溶液条件 |
| 1 | Vapor diffusion, hanging drop * | 6.2 * |
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 | protease | 8 (mg/ml) | |
| 2 | 1 | drop | sodium acetate | 50 (mM) | |
| 3 | 1 | drop | dithiothreitol | 10 (mM) | |
| 4 | 1 | reservoir | ammonium sulfate | 37 (%(w/v)) | |
| 5 | 1 | reservoir | citrate | 63 (mM) | |
| 6 | 1 | reservoir | sodium phosphate | 126 (mM) | |
| 7 | 1 | reservoir | beta-mercaptoethanol | 1 (M) | |
| 8 | 1 | reservoir | dimethyl sulfoxide | ||
| 9 | 1 | reservoir | isopropanol |
