1LKD
CRYSTAL STRUCTURE OF 2,3-DIHYDROXYBIPHENYL 1,2-DIOXYGENASE (DHBD) COMPLEXED WITH 2',6'-DICL DIHYDROXYBIPHENYL (DHB)
Experimental procedure
| 実験手法 | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2001-06-10 |
| Detector | CUSTOM-MADE |
| Wavelength(s) | 0.97833 |
| Spacegroup name | I 4 2 2 |
| 格子定数 [Å] | 122.640, 122.640, 107.232 |
| 格子定数 [度] | 90.00, 90.00, 90.00 |
精密化法
| 残基 | 25.000 * - 1.700 |
| Rwork | 0.203 |
| R-free | 0.23100 * |
| Structure solution method | MOLECULAR REPLACEMENT |
| 結合長の平均二乗偏差(RMSD) [Å] | 0.006 |
| 結合角の平均二乗偏差(RMSD) [度] | 1.270 * |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS (1.0) |
Quality characteristics
| Overall | Outer shell | |
| 分解能 [Å] (低) | 50.000 | 1.750 |
| 分解能 [Å] (高) | 1.690 | 1.690 |
| Rmerge_l_obs | 0.086 | 0.409 |
| Total number of observations | 2212442 * | |
| 独立反射数 | 46029 | |
| 完全性 [%] | 90.2 | 73.7 |
結晶化条件
| 結晶ID | 方法 | pH | 温度 | 溶液条件 |
| 1 | Vapor diffusion * | 7.5 | 5-10 * | Han, S., (1995) Science, 270, 976. * |
文献の結晶化試薬
| ID | 結晶ID | 溶液 | 試薬名 | 濃度 (単位) (単位) | 詳細 |
| 1 | 1 | reservoir | PEG4000 | 18-22 (%) | |
| 2 | 1 | reservoir | t-butanol | 10-15 (%) |
