1M9Y
X-ray crystal structure of Cyclophilin A/HIV-1 CA N-terminal domain (1-146) M-type H87A,G89A Complex.
Experimental procedure
| 実験手法 | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-1 |
| Synchrotron site | SSRL |
| Beamline | BL9-1 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2001-02-08 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.97 |
| Spacegroup name | P 1 |
| 格子定数 [Å] | 38.426, 111.223, 67.780 |
| 格子定数 [度] | 89.99, 101.45, 89.75 |
精密化法
| 残基 | 20.000 * - 1.900 |
| R因子 | 0.169 * |
| Rwork | 0.162 |
| R-free | 0.23400 * |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ak4 |
| 結合長の平均二乗偏差(RMSD) [Å] | 0.018 |
| 結合角の平均二乗偏差(RMSD) [度] | 2.600 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | X-PLOR |
| Refinement software | REFMAC (5.0) |
Quality characteristics
| Overall | Outer shell | |
| 分解能 [Å] (低) | 20.000 | 1.930 |
| 分解能 [Å] (高) | 1.900 | 1.900 |
| Rmerge_l_obs | 0.040 | 0.251 |
| Total number of observations | 173271 * | |
| 独立反射数 | 84527 | |
| <I/σ(I)> | 19 | 2.5 |
| 完全性 [%] | 98.0 | 96 |
| 冗長性 | 2.05 | 1.95 |
結晶化条件
| 結晶ID | 方法 | pH | 温度 | 溶液条件 |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 * | 21 * | PEG 8K, Bicine, LiCl, Tris, Beta-mercaptoethanol, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 294K |
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 | CypA-CAN | 0.4 (mM) | |
| 2 | 1 | drop | beta-mercaptoethanol | 1 (mM) | |
| 3 | 1 | drop | Tris | 10 (mM) | pH8.0 |
| 4 | 1 | reservoir | PEG8000 | 15-25 (%(w/v)) | |
| 5 | 1 | reservoir | 1 (M) | ||
| 6 | 1 | reservoir | Bicine | 100 (mM) | pH7.0-9.0 |
