3PHJ
Shikimate 5-Dehydrogenase (aroE) from Helicobacter pylori in complex with 3-Dehydroshikimate
Experimental procedure
| 実験手法 | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSRRC BEAMLINE BL13C1 |
| Synchrotron site | NSRRC |
| Beamline | BL13C1 |
| Temperature [K] | 110 |
| Detector technology | CCD |
| Collection date | 2010-04-24 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 0.97622 |
| Spacegroup name | P 1 21 1 |
| 格子定数 [Å] | 44.593, 47.156, 124.124 |
| 格子定数 [度] | 90.00, 97.63, 90.00 |
精密化法
| 残基 | 30.000 - 2.300 |
| R因子 | 0.20426 |
| Rwork | 0.204 |
| R-free | 0.21452 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3phg |
| 結合長の平均二乗偏差(RMSD) [Å] | 0.014 |
| 結合角の平均二乗偏差(RMSD) [度] | 1.470 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.5.0102) |
Quality characteristics
| Overall | Outer shell | |
| 分解能 [Å] (低) | 30.000 | 2.380 |
| 分解能 [Å] (高) | 2.300 | 2.300 |
| Rmerge_l_obs | 0.075 | 0.457 |
| 独立反射数 | 23057 | |
| <I/σ(I)> | 16.1 | 2.7 |
| 完全性 [%] | 99.9 | 100 |
| 冗長性 | 4.1 | 4.1 |
結晶化条件
| 結晶ID | 方法 | pH | 温度 | 溶液条件 |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 25.5% PEG 8000, 0.1M BIS-TRIS, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
