4JBJ
Structural mimicry for functional antagonism
Experimental procedure
| Experimental method | 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 |
| Unit cell lengths | 117.949, 70.749, 76.823 |
| Unit cell angles | 90.00, 92.47, 90.00 |
Refinement procedure
| Resolution | 35.374 - 2.692 |
| R-factor | 0.2331 |
| Rwork | 0.229 |
| R-free | 0.27190 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4jbm |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.975 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASES |
| Refinement software | PHENIX ((phenix.refine: 1.8.1_1168)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.800 |
| High resolution limit [Å] | 2.692 | 2.700 |
| Number of reflections | 17058 | |
| Completeness [%] | 96.9 | 96.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 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 |
