1K6T
LACK OF SYNERGY FOR INHIBITORS TARGETING A MULTI-DRUG RESISTANT HIV-1 PROTEASE
Experimental procedure
| 実験手法 | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 298 |
| Detector technology | IMAGE PLATE |
| Collection date | 1999-11-28 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 21 |
| 格子定数 [Å] | 51.490, 59.370, 62.030 |
| 格子定数 [度] | 90.00, 90.00, 90.00 |
精密化法
| 残基 | 27.000 - 2.250 |
| R因子 | 0.184 |
| Rwork | 0.184 |
| R-free | 0.25000 |
| Structure solution method | DIFFERENCE FOURIER MAPS |
| Starting model (for MR) | 1k6c |
| 結合長の平均二乗偏差(RMSD) [Å] | 0.006 |
| 結合角の平均二乗偏差(RMSD) [度] | 1.300 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS |
Quality characteristics
| Overall | |
| 分解能 [Å] (低) | 27.000 |
| 分解能 [Å] (高) | 2.250 |
| Rmerge_l_obs | 0.088 |
| Total number of observations | 33172 * |
| 独立反射数 | 9186 * |
| <I/σ(I)> | 5 |
| 完全性 [%] | 96.6 |
| 冗長性 | 4 |
結晶化条件
| 結晶ID | 方法 | pH | 温度 | 溶液条件 |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 * | 298 | SODIUM PHOSPHATE, SODIUM CITRATE, AMMONIUM SULPHATE, pH 6.2, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
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 | 2 (mg/ml) | |
| 2 | 1 | drop | sodium acetate | 0.05 (M) | pH5.5 |
| 3 | 1 | drop | ethylene glycol | 5 (%) | |
| 4 | 1 | drop | glycerol | 10 (%) | |
| 5 | 1 | drop | dithiothreitol | 5 (mM) | |
| 6 | 1 | reservoir | phosphate | 126 (mM) | pH6.2 |
| 7 | 1 | reservoir | sodium citrate | 63 (mM) | |
| 8 | 1 | reservoir | ammonium sulfate | 27-33 (%) |
