1KND
Crystal Structure of 2,3-dihydroxybiphenyl 1,2-dioxygenase Complexed with Catechol under Anaerobic Condition
Experimental procedure
| 実験手法 | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 298 |
| Detector technology | IMAGE PLATE |
| Collection date | 1995-11-23 |
| Detector | RIGAKU RAXIS II |
| Wavelength(s) | 1.5418 |
| Spacegroup name | I 4 2 2 |
| 格子定数 [Å] | 122.800, 122.800, 110.600 |
| 格子定数 [度] | 90.00, 90.00, 90.00 |
精密化法
| 残基 | 7.000 - 1.900 |
| R因子 | 0.198 |
| Rwork | 0.164 |
| R-free | 0.19300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1han |
| 結合長の平均二乗偏差(RMSD) [Å] | 0.011 |
| 結合角の平均二乗偏差(RMSD) [度] | 1.500 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | X-PLOR (3.1) |
Quality characteristics
| Overall | Outer shell | |
| 分解能 [Å] (低) | 30.000 | 1.970 |
| 分解能 [Å] (高) | 1.900 | 1.900 |
| 独立反射数 | 32091 | |
| <I/σ(I)> | 44.8 | 5.1 |
| 完全性 [%] | 95.8 | 73.1 |
| 冗長性 | 7.8 | 3.2 |
結晶化条件
| 結晶ID | 方法 | pH | 温度 | 溶液条件 |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 278 | PEG4000, t-butanol, catechol, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 278K |
