2CET
Beta-glucosidase from Thermotoga maritima in complex with phenethyl- substituted glucoimidazole
Experimental procedure
| 実験手法 | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-1 |
| Synchrotron site | ESRF |
| Beamline | ID14-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2002-09-21 |
| Detector | ADSC CCD |
| Spacegroup name | P 21 21 21 |
| 格子定数 [Å] | 94.365, 94.520, 113.582 |
| 格子定数 [度] | 90.00, 90.00, 90.00 |
精密化法
| 残基 | 29.880 - 1.970 |
| R因子 | 0.195 |
| Rwork | 0.192 |
| R-free | 0.24400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1od0 |
| 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] | 1.374 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Refinement software | REFMAC (5.2.0005) |
Quality characteristics
| Overall | Outer shell | |
| 分解能 [Å] (低) | 30.000 | 2.040 |
| 分解能 [Å] (高) | 1.970 | 1.970 |
| Rmerge_l_obs | 0.050 | 0.390 |
| 独立反射数 | 70563 | |
| <I/σ(I)> | 21.93 | 2.83 |
| 完全性 [%] | 97.6 | 97.9 |
| 冗長性 | 4.8 | 3.5 |
結晶化条件
| 結晶ID | 方法 | pH | 温度 | 溶液条件 |
| 1 | 7 | 10 MG/ML PROTEIN,15% PEG 4K, 0.1 IMIDAZOLE, PH 7, 0.2 M CALCIUM ACETATE, 25% ETHYLENE GLYCOL AS CRYO. |
