1A94
STRUCTURAL BASIS FOR SPECIFICITY OF RETROVIRAL PROTEASES
Experimental procedure
| Source type | ROTATING ANODE |
| Source details | RIGAKU RUH2R |
| Temperature [K] | 293 |
| Detector technology | IMAGE PLATE |
| Collection date | 1996-11 |
| Detector | RIGAKU |
| Spacegroup name | P 1 1 21 |
| 格子定数 [Å] | 59.610, 51.940, 61.700 |
| 格子定数 [度] | 90.00, 90.00, 90.00 |
精密化法
| 残基 | 8.000 - 2.000 |
| R因子 | 0.182 |
| Rwork | 0.182 |
| R-free | 0.28100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| 結合長の平均二乗偏差(RMSD) [Å] | 0.014 |
| 結合角の平均二乗偏差(RMSD) [度] | 27.070 * |
| Data reduction software | R-AXIS |
| Data scaling software | R-AXIS |
| Phasing software | AMoRE |
| Refinement software | X-PLOR (3.1) |
Quality characteristics
| Overall | Outer shell | |
| 分解能 [Å] (低) | 8.000 | 2.250 |
| 分解能 [Å] (高) | 2.000 | 2.000 |
| Rmerge_l_obs | 0.083 | 0.083 |
| 独立反射数 | 20944 | |
| <I/σ(I)> | 2 | |
| 完全性 [%] | 86.1 | 76.5 |
結晶化条件
| 結晶ID | 方法 | pH | 温度 | 溶液条件 |
| 1 | Vapor diffusion * | 4.7 | pH 4.7 |
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 | HIV-1 protease | 5.8 (mg/ml) | |
| 2 | 1 | drop | sodium acetate | 20 (mM) | |
| 3 | 1 | drop | dithiothreitol | 5 (mM) | |
| 4 | 1 | drop | inhibitor | 5-fold molar excess | |
| 5 | 1 | reservoir | sodium citrate | 66 (mM) | |
| 6 | 1 | reservoir | sodium phosphate | 132 (mM) | |
| 7 | 1 | reservoir | dithiothreitol | 10 (mM) | |
| 8 | 1 | reservoir | DMSO | 10 (%) | |
| 9 | 1 | reservoir | ammonium sulfate | 45 (%sat) |
