1OKV
Cyclin A binding groove inhibitor H-Arg-Arg-Leu-Ile-Phe-NH2
Experimental procedure
| 実験手法 | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SRS BEAMLINE PX14.2 |
| Synchrotron site | SRS |
| Beamline | PX14.2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2002-03-15 |
| Detector | ADSC CCD |
| Spacegroup name | P 21 21 21 |
| 格子定数 [Å] | 74.193, 113.879, 155.274 |
| 格子定数 [度] | 90.00, 90.00, 90.00 |
精密化法
| 残基 | 17.000 - 2.400 |
| R因子 | 0.201 |
| Rwork | 0.197 |
| R-free | 0.27800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1fin |
| 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] | 1.915 |
| Data reduction software | HKL |
| Data scaling software | SCALEPACK |
| Refinement software | REFMAC (5.0) |
Quality characteristics
| Overall | Outer shell | |
| 分解能 [Å] (低) | 24.000 | 2.460 |
| 分解能 [Å] (高) | 2.400 | 2.400 |
| Rmerge_l_obs | 0.110 | 0.650 |
| 独立反射数 | 52345 * | |
| <I/σ(I)> | 5.9 | 1.3 |
| 完全性 [%] | 96.7 | 84.6 |
| 冗長性 | 10.7 |
結晶化条件
| 結晶ID | 方法 | pH | 温度 | 溶液条件 |
| 1 | Vapor diffusion, hanging drop * | 7 * | 22% PEG 3350, 0.1M NA3-CIT, PH 7.80 |
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 | 7-8 (mg/ml) | |
| 2 | 1 | drop | HEPES | 40 (mM) | pH7.0 |
| 3 | 1 | drop | 200 (mM) | ||
| 4 | 1 | drop | dithiothreitol | 5 (mM) | |
| 5 | 1 | reservoir | PEG3350 | 18 (%) | |
| 6 | 1 | reservoir | trisodium citrate | 100 (mM) |
