4JBJ
Structural mimicry for functional antagonism
Experimental procedure
実験手法 | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U |
Synchrotron site | SSRF |
Beamline | BL17U |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-01-12 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.98 |
Spacegroup name | C 1 2 1 |
格子定数 [Å] | 117.949, 70.749, 76.823 |
格子定数 [度] | 90.00, 92.47, 90.00 |
精密化法
残基 | 35.374 - 2.692 |
R因子 | 0.2331 |
Rwork | 0.229 |
R-free | 0.27190 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4jbm |
結合長の平均二乗偏差(RMSD) [Å] | 0.004 |
結合角の平均二乗偏差(RMSD) [度] | 0.975 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASES |
Refinement software | PHENIX ((phenix.refine: 1.8.1_1168)) |
Quality characteristics
Overall | Outer shell | |
分解能 [Å] (低) | 50.000 | 2.800 |
分解能 [Å] (高) | 2.692 | 2.700 |
独立反射数 | 17058 | |
完全性 [%] | 96.9 | 96.7 |
結晶化条件
結晶ID | 方法 | pH | 温度 | 溶液条件 |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 289 | 0.05M ammonium sulfate, 0.05M Bis-Tris, 30%(v/v) pentaerythritol ethoxylate, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 289K |