3ABX
CcCel6C, a glycoside hydrolase family 6 enzyme, complexed with p-nitrophenyl beta-D-cellotrioside
「3A9A」から置き換えられました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] | 100 |
| Detector technology | CCD |
| Collection date | 2008-06-22 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 |
| 格子定数 [Å] | 43.876, 45.153, 48.989 |
| 格子定数 [度] | 77.63, 86.87, 68.80 |
精密化法
| 残基 | 24.890 - 1.400 |
| R因子 | 0.16599 |
| Rwork | 0.163 |
| R-free | 0.18875 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3a64 |
| 結合長の平均二乗偏差(RMSD) [Å] | 0.008 |
| 結合角の平均二乗偏差(RMSD) [度] | 1.219 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0005) |
Quality characteristics
| Overall | Outer shell | |
| 分解能 [Å] (低) | 50.000 | 1.450 |
| 分解能 [Å] (高) | 1.400 | 1.400 |
| Rmerge_l_obs | 0.064 | 0.175 |
| 独立反射数 | 63990 | |
| <I/σ(I)> | 25.7 | 3.3 |
| 完全性 [%] | 94.8 | 90.6 |
| 冗長性 | 2 |
結晶化条件
| 結晶ID | 方法 | pH | 温度 | 溶液条件 |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 30% PEG 8000, 0.1M HEPES-KOH, 0.15M magnesium acetate, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
