1QX3
Conformational restrictions in the active site of unliganded human caspase-3
Experimental procedure
| 実験手法 | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL7-1 |
| Synchrotron site | SSRL |
| Beamline | BL7-1 |
| Temperature [K] | 98 |
| Detector technology | IMAGE PLATE |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.9200 |
| Spacegroup name | P 21 21 2 |
| 格子定数 [Å] | 70.260, 96.190, 44.170 |
| 格子定数 [度] | 90.00, 90.00, 90.00 |
精密化法
| 残基 | 20.000 - 1.900 |
| Rwork | 0.249 |
| R-free | 0.28000 * |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1cp3 |
| 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] | 1.170 * |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS |
Quality characteristics
| Overall | Outer shell | |
| 分解能 [Å] (低) | 20.000 * | 1.970 |
| 分解能 [Å] (高) | 1.900 | 1.900 |
| Rmerge_l_obs | 0.061 * | |
| Total number of observations | 64161 * | |
| 独立反射数 | 21234 | |
| <I/σ(I)> | 13.5 | 13.5 |
| 完全性 [%] | 87.5 | 78.6 |
| 冗長性 | 3 | 3 |
結晶化条件
| 結晶ID | 方法 | pH | 温度 | 溶液条件 |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 294 | 4-6% PEG 8000, 5-7% isopropanol, pH 7.5, VAPOR DIFFUSION, HANGING 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 | reservoir | HEPES | 25 (mM) | pH7.5 |
| 2 | 1 | reservoir | PEG8000 | 4-6 (%) | |
| 3 | 1 | reservoir | isopropanol | 5-7 (%) |
