5YAQ
Crystal structure of scyllo-inositol dehydrogenase with L-glucose dehydrogenase activity complexed with scyllo-inosose
Experimental procedure
| 実験手法 | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE AR-NW12A |
| Synchrotron site | Photon Factory |
| Beamline | AR-NW12A |
| Temperature [K] | 95 |
| Detector technology | CCD |
| Collection date | 2011-02-19 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 21 21 21 |
| 格子定数 [Å] | 86.550, 121.243, 140.395 |
| 格子定数 [度] | 90.00, 90.00, 90.00 |
精密化法
| 残基 | 39.000 - 1.990 |
| R因子 | 0.18073 |
| Rwork | 0.180 |
| R-free | 0.19352 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5yab |
| 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] | 1.539 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0107) |
Quality characteristics
| Overall | Outer shell | |
| 分解能 [Å] (低) | 50.000 | 2.030 |
| 分解能 [Å] (高) | 1.990 | 2.000 |
| Rmerge_l_obs | 0.074 | 0.381 |
| 独立反射数 | 100761 | |
| <I/σ(I)> | 22.9 | 3.6 |
| 完全性 [%] | 99.8 | 99.9 |
| 冗長性 | 4.1 | 3.7 |
結晶化条件
| 結晶ID | 方法 | pH | 温度 | 溶液条件 |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.1 M sodium acetate pH 4.8 - 5.4, and 12 - 35% PEG3350 |
