1KMY
Crystal Structure of 2,3-dihydroxybiphenyl 1,2-dioxygenase Complexed with 2,3-dihydroxybiphenyl 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 | 1995-11-21 |
| Detector | RIGAKU RAXIS II |
| Wavelength(s) | 1.5418 |
| Spacegroup name | I 4 2 2 |
| 格子定数 [Å] | 123.300, 123.300, 110.900 |
| 格子定数 [度] | 90.00, 90.00, 90.00 |
精密化法
| 残基 | 7.000 - 2.000 |
| R因子 | 0.161 * |
| Rwork | 0.163 |
| R-free | 0.19600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1han |
| 結合長の平均二乗偏差(RMSD) [Å] | 0.012 |
| 結合角の平均二乗偏差(RMSD) [度] | 24.464 * |
| 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 | 2.070 |
| 分解能 [Å] (高) | 2.000 | 2.000 |
| Rmerge_l_obs | 0.630 * | 0.229 |
| 独立反射数 | 28856 | |
| <I/σ(I)> | 34.7 | 5 |
| 完全性 [%] | 99.3 | 95.2 |
| 冗長性 | 5.7 | 3.3 |
結晶化条件
| 結晶ID | 方法 | pH | 温度 | 溶液条件 |
| 1 | unknown * | 7.5 | 278 | PEG4000, t-butanol, 2,3-dihydroxybiphenyl, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 278K |
