5FVR
Structure of rat neuronal nitric oxide synthase heme domain in complex with 4-METHYL-6-(2-(5-(1-METHYLPIPERIDIN-4-YL)PYRIDIN-3-YL) ETHYL)PYRIDIN-2-AMINE
Experimental procedure
| 実験手法 | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL7-1 |
| Synchrotron site | SSRL |
| Beamline | BL7-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-03-20 |
| Detector | ADSC QUANTUM 315 |
| Spacegroup name | P 21 21 21 |
| 格子定数 [Å] | 52.090, 110.580, 163.910 |
| 格子定数 [度] | 90.00, 90.00, 90.00 |
精密化法
| 残基 | 55.290 - 1.842 |
| R因子 | 0.1843 |
| Rwork | 0.182 |
| R-free | 0.21810 |
| Structure solution method | OTHER |
| Starting model (for MR) | NONE |
| 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] | 1.197 |
| Data reduction software | MOSFLM |
| Data scaling software | Aimless |
| Phasing software | REFMAC |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Quality characteristics
| Overall | Outer shell | |
| 分解能 [Å] (低) | 50.000 | 1.900 |
| 分解能 [Å] (高) | 1.840 | 1.840 |
| Rmerge_l_obs | 0.100 | 1.500 |
| 独立反射数 | 92324 | |
| <I/σ(I)> | 8.3 | 0.7 |
| 完全性 [%] | 99.6 | 100 |
| 冗長性 | 3.9 | 3.9 |
結晶化条件
| 結晶ID | 方法 | pH | 温度 | 溶液条件 |
| 1 | 5.8 | 20-24% PEG3350, 0.1M MES, 0.14-0.20M AMMONIUM ACETATE, 10% ETHYLENE GLYCOL, 30UM SDS, 5 MM GSH, pH 5.8 |
