2EHZ
Anaerobic Crystal Structure Analysis of 1,2-dihydroxynaphthalene dioxygenase from Pseudomonas sp. strain C18 complexed with 4-methylcatechol
Experimental procedure
| 実験手法 | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-BM |
| Synchrotron site | APS |
| Beamline | 19-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2001-12-07 |
| Detector | CUSTOM-MADE |
| Wavelength(s) | 0.99 |
| Spacegroup name | I 4 2 2 |
| 格子定数 [Å] | 117.820, 117.820, 121.160 |
| 格子定数 [度] | 90.00, 90.00, 90.00 |
精密化法
| 残基 | 48.340 - 1.350 |
| R因子 | 0.16572 |
| Rwork | 0.165 |
| R-free | 0.17767 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1han |
| 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] | 1.119 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.2.0019) |
Quality characteristics
| Overall | Outer shell | |
| 分解能 [Å] (低) | 50.000 | |
| 分解能 [Å] (高) | 1.350 | 1.350 |
| 独立反射数 | 79701 | |
| 完全性 [%] | 97.6 | 86.3 |
| 冗長性 | 7.8 |
結晶化条件
| 結晶ID | 方法 | pH | 温度 | 溶液条件 |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 294 | 1.8M NaCl, 0.1M MgCl2, 0.1M Hepes, anaerobic crystallization, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 294K |
