6M9C
PSEUDOMONAS SERINE-CARBOXYL PROTEINASE (SEDOLISIN) COMPLEXED WITH THE INHIBITOR Pseudotyrostatin
「1KE1」から置き換えられましたExperimental procedure
| 実験手法 | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2001-07-08 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 62 |
| 格子定数 [Å] | 98.270, 98.270, 83.300 |
| 格子定数 [度] | 90.00, 90.00, 120.00 |
精密化法
| 残基 | 30.000 - 1.800 |
| R因子 | 0.1628 |
| Rwork | 0.163 |
| R-free | 0.20790 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ga6 |
| 結合長の平均二乗偏差(RMSD) [Å] | 0.007 |
| 結合角の平均二乗偏差(RMSD) [度] | 0.023 |
| Data reduction software | DENZO |
| Data scaling software | HKL-2000 |
| Refinement software | SHELXL (2018/3) |
Quality characteristics
| Overall | Outer shell | |
| 分解能 [Å] (低) | 30.000 | 1.830 |
| 分解能 [Å] (高) | 1.800 | 1.800 |
| Rmerge_l_obs | 0.282 | |
| 独立反射数 | 41476 | 2099 |
| <I/σ(I)> | 39 | |
| 完全性 [%] | 98.0 | 99.1 |
| 冗長性 | 4.95 | 4.8 |
結晶化条件
| 結晶ID | 方法 | pH | 温度 | 溶液条件 |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 298 | Ammonium sulfate, guanidinium hydrochloride, glycerol |
