4JVA
Crystal Structure of RIIbeta(108-402) bound to HE33, a N6 di-propyl substituted cAMP analog
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.2.2 |
| Synchrotron site | ALS |
| Beamline | 8.2.2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-08-18 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 54.514, 54.514, 199.960 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.500 |
| R-factor | 0.2376 |
| Rwork | 0.238 |
| R-free | 0.27820 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1cx4 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.400 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASES |
| Refinement software | CNS (1.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.580 |
| High resolution limit [Å] | 2.470 | 2.470 |
| Rmerge | 0.080 | 0.325 |
| Number of reflections | 15916 | |
| <I/σ(I)> | 39.3 | 5.5 |
| Completeness [%] | 95.1 | 88.4 |
| Redundancy | 25.1 | 19.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | vapor diffusion under oil (VDUO) | 6 | 298 | 20% PEG 4000, 80 mM Bis-Tris 6.0, and 50 mM MgCl2 using the Oryx crystallization robot (Douglas Instruments) in modified microbatch mode, vapor diffusion under oil (VDUO) , temperature 298.0K |
