4HOP
Crystal structure of the computationally designed NNOS-Syntrophin complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.3.1 |
| Synchrotron site | ALS |
| Beamline | 8.3.1 |
| Temperature [K] | 77.2 |
| Detector technology | CCD |
| Collection date | 2007-06-29 |
| Detector | ADSC QUANTUM 315 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 61.196, 102.503, 64.100 |
| Unit cell angles | 90.00, 118.61, 90.00 |
Refinement procedure
| Resolution | 47.570 - 2.290 |
| R-factor | 0.226 |
| Rwork | 0.223 |
| R-free | 0.27300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1qav |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.979 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.000 | 2.370 |
| High resolution limit [Å] | 2.290 | 2.290 |
| Rmerge | 0.068 | 0.171 |
| Number of reflections | 31327 | |
| <I/σ(I)> | 30.532 | 12.043 |
| Completeness [%] | 100.0 | 99.8 |
| Redundancy | 9.1 | 6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.25 | 293 | 0.1M MES, 0.2M LICL, 21.5% PEG 6000. SYNTROPHIN AT 3.6 MG/ML FINAL. NNOS AT 2.6 MG/ML FINAL. 1:1 MIX OF PROTEIN SOLUTION TO PRECIPITANT, pH 5.25, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
