6NX2
Crystal structure of computationally designed protein AAA
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.2.1 |
| Synchrotron site | ALS |
| Beamline | 8.2.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2016-10-18 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.999933 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 89.592, 51.650, 85.527 |
| Unit cell angles | 90.00, 110.48, 90.00 |
Refinement procedure
| Resolution | 44.040 - 2.300 |
| R-factor | 0.261 |
| Rwork | 0.259 |
| R-free | 0.27900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | ROSETTA MODEL |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.508 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX (DEV_2611) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 70.000 | 2.340 |
| High resolution limit [Å] | 2.230 | 2.300 |
| Number of reflections | 16424 | |
| <I/σ(I)> | 16.1 | 0.8 |
| Completeness [%] | 98.4 | 86.9 |
| Redundancy | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 277.15 | 10% w/v PEG 8000, 20% v/v ethylene glycol, 0.03 M of each halide (sodium fluoride, sodium bromide, sodium iodide), 0.1 M bicine/Trizma base pH 8.5 |
