1NNQ
rubrerythrin from Pyrococcus furiosus Pfu-1210814
Experimental procedure
| 実験手法 | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2002-07-13 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.97243 |
| Spacegroup name | P 42 21 2 |
| 格子定数 [Å] | 105.918, 105.918, 81.001 |
| 格子定数 [度] | 90.00, 90.00, 90.00 |
精密化法
| 残基 | 74.540 - 2.350 |
| R因子 | 0.21329 |
| Rwork | 0.211 |
| R-free | 0.25300 * |
| Structure solution method | SAD |
| 結合長の平均二乗偏差(RMSD) [Å] | 0.013 |
| 結合角の平均二乗偏差(RMSD) [度] | 1.230 * |
| Data scaling software | SCALEPACK |
| Phasing software | SOLVE |
| Refinement software | REFMAC (5.1.24) |
Quality characteristics
| Overall | Outer shell | |
| 分解能 [Å] (低) | 50.000 | 2.430 |
| 分解能 [Å] (高) | 2.350 | 2.350 |
| Rmerge_l_obs | 0.071 * | 0.369 * |
| Total number of observations | 311097 * | |
| 独立反射数 | 19657 | |
| <I/σ(I)> | 36.7 | 6.3 |
| 完全性 [%] | 99.9 * | 100 |
結晶化条件
| 結晶ID | 方法 | pH | 温度 | 溶液条件 |
| 1 | Vapor diffusion * | 8 | 291 | PEG 1000, calcium acetate, imidazole, pH 8.0, modified microbatch, temperature 291K |
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 | 20 (mg/ml) | |
| 2 | 1 | drop | 10 (mM) | ||
| 3 | 1 | drop | dithiothreitol | 2 (mM) | |
| 4 | 1 | drop | Tris | 20 (mM) | pH8. |
| 5 | 1 | reservoir | PEG1000 | 20 (%(w/v)) | |
| 6 | 1 | reservoir | calcium acetate | 200 (mM) | |
| 7 | 1 | reservoir | imidazole | 100 (mM) | pH8. |
| 8 | 1 | reservoir | 25 (mM) |
