1LQ2
Crystal structure of barley beta-D-glucan glucohydrolase isoenzyme Exo1 in complex with gluco-phenylimidazole
Experimental procedure
| 実験手法 | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | MACSCIENCE |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2001-08-15 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 43 21 2 |
| 格子定数 [Å] | 100.693, 100.693, 182.676 |
| 格子定数 [度] | 90.00, 90.00, 90.00 |
精密化法
| 残基 | 25.000 - 2.620 * |
| Rwork | 0.210 |
| R-free | 0.27290 * |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ieq |
| 結合長の平均二乗偏差(RMSD) [Å] | 0.010 |
| 結合角の平均二乗偏差(RMSD) [度] | 1.700 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS |
Quality characteristics
| Overall | Outer shell | |
| 分解能 [Å] (低) | 50.000 | 2.690 |
| 分解能 [Å] (高) | 2.620 | 2.620 |
| Rmerge_l_obs | 0.130 | 0.583 * |
| Total number of observations | 70377 * | |
| 独立反射数 | 44625 * | |
| <I/σ(I)> | 5.9 | |
| 完全性 [%] | 73.6 * | 45.4 * |
| 冗長性 | 1.81 |
結晶化条件
| 結晶ID | 方法 | pH | 温度 | 溶液条件 |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 277-279 * | Hrmova, M., (1998) Acta Cryst., D54, 687. * |
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 | enzyme | 6.8 (mg/ml) | |
| 2 | 1 | drop | HEPES-NaOH | 75 (mM) | |
| 3 | 1 | drop | sodium acetate | 7.5 (mM) | |
| 4 | 1 | drop | PEG400 | 1.2 (%(w/v)) | |
| 5 | 1 | drop | ammonium sulfate | 0.8 (M) | |
| 6 | 1 | reservoir | ammonium sulfate | 1.7 (M) | |
| 7 | 1 | reservoir | HEPES-NaOH | 50 (mM) |
