1OL1
Cyclin A binding groove inhibitor H-Cit-Cit-Leu-Ile-(p-F-Phe)-NH2
Experimental procedure
| 実験手法 | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-2 |
| Synchrotron site | ESRF |
| Beamline | ID14-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2002-11-15 |
| Detector | ADSC CCD |
| Spacegroup name | P 21 21 21 |
| 格子定数 [Å] | 74.498, 113.471, 154.482 |
| 格子定数 [度] | 90.00, 90.00, 90.00 |
精密化法
| 残基 | 12.000 - 2.900 |
| R因子 | 0.209 |
| Rwork | 0.206 |
| R-free | 0.29100 * |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1fin |
| 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] | 1.419 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Refinement software | REFMAC (5.0) |
Quality characteristics
| Overall | Outer shell | |
| 分解能 [Å] (低) | 15.000 | 3.060 |
| 分解能 [Å] (高) | 2.900 | 2.900 |
| Rmerge_l_obs | 0.120 | 0.460 * |
| Total number of observations | 648091 * | |
| 独立反射数 | 29357 | |
| <I/σ(I)> | 2.8 | 1.5 |
| 完全性 [%] | 98.9 | 98.9 |
| 冗長性 | 22.5 |
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) |
