1UR9
Interactions of a family 18 chitinase with the designed inhibitor HM508, and its degradation product, chitobiono-delta-lactone
Experimental procedure
| 実験手法 | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SRS BEAMLINE PX9.6 |
| Synchrotron site | SRS |
| Beamline | PX9.6 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2002-05-15 |
| Detector | ADSC CCD |
| Spacegroup name | P 21 21 21 |
| 格子定数 [Å] | 55.524, 104.177, 185.992 |
| 格子定数 [度] | 90.00, 90.00, 90.00 |
精密化法
| 残基 | 24.880 - 1.800 |
| R因子 | 0.208 |
| Rwork | 0.208 |
| R-free | 0.25500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1goi |
| 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] | 1.500 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS (1.0) |
Quality characteristics
| Overall | Outer shell | |
| 分解能 [Å] (低) | 25.000 | 1.860 |
| 分解能 [Å] (高) | 1.800 | 1.800 |
| Rmerge_l_obs | 0.052 | 0.300 |
| 独立反射数 | 97967 | |
| <I/σ(I)> | 25.9 | 2.7 |
| 完全性 [%] | 97.1 | 77.8 |
| 冗長性 | 3.5 | 2.1 |
結晶化条件
| 結晶ID | 方法 | pH | 温度 | 溶液条件 |
| 1 | 7 | 100 MM HEPES PH 7.0, 15% GLYCEROL, 1.3 M AMMONIUM SULPHATE |
