1N49
Viability of a Drug-Resistant HIV-1 Protease Variant: Structural Insights for Better Anti-Viral Therapy
Experimental procedure
| 実験手法 | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 200 |
| Detector technology | IMAGE PLATE |
| Collection date | 2001-08-07 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| 格子定数 [Å] | 51.620, 61.350, 59.040 |
| 格子定数 [度] | 90.00, 81.20, 90.00 |
精密化法
| 残基 | 50.000 - 2.200 |
| R因子 | 0.223 |
| Rwork | 0.223 |
| R-free | 0.28400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1f7a |
| 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] | 28.800 * |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS |
Quality characteristics
| Overall | Outer shell | |
| 分解能 [Å] (低) | 50.000 | 2.280 |
| 分解能 [Å] (高) | 2.200 | 2.200 |
| Rmerge_l_obs | 0.064 | 0.270 |
| Total number of observations | 19193 * | |
| 独立反射数 | 13097 | 1184 * |
| <I/σ(I)> | 7.6 | |
| 完全性 [%] | 71.2 | 66 * |
結晶化条件
| 結晶ID | 方法 | pH | 温度 | 溶液条件 |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.2 | sodium phosphate, sodium citrate, ammonium sulphate, pH 6.2, VAPOR DIFFUSION, HANGING DROP |
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 | 2.5 (mg/ml) | |
| 2 | 1 | reservoir | phosphate | 126 (mM) | pH6.2 |
| 3 | 1 | reservoir | sodium citrate | 63 (mM) | |
| 4 | 1 | reservoir | ammonium sulfate | 28-31 (%) |
