3ANL
Crystal structure of 1-deoxy-D-xylulose 5-phosphate reductoisomerase (DXR) complexed with pyridin-2-ylmethylphosphonic acid
Experimental procedure
| 実験手法 | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE AR-NW12A |
| Synchrotron site | Photon Factory |
| Beamline | AR-NW12A |
| Temperature [K] | 95 |
| Detector technology | CCD |
| Collection date | 2010-03-13 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 21 21 2 |
| 格子定数 [Å] | 181.717, 59.298, 87.166 |
| 格子定数 [度] | 90.00, 90.00, 90.00 |
精密化法
| 残基 | 29.200 - 2.100 |
| R因子 | 0.18576 |
| Rwork | 0.184 |
| R-free | 0.22518 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2egh |
| 結合長の平均二乗偏差(RMSD) [Å] | 0.018 |
| 結合角の平均二乗偏差(RMSD) [度] | 1.804 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Quality characteristics
| Overall | Outer shell | |
| 分解能 [Å] (低) | 50.000 | 2.140 |
| 分解能 [Å] (高) | 2.100 | 2.100 |
| 独立反射数 | 55758 | |
| 完全性 [%] | 99.5 | 99.3 |
| 冗長性 | 3.5 |
結晶化条件
| 結晶ID | 方法 | pH | 温度 | 溶液条件 |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 277 | 0.1M sodium citrate, 0.8M sodium malonate, 0.3M potassium sodium (+) tartrate, 3mM NADPH, 5mM MgCl2, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
