6NXM
Crystal structure of computationally designed protein XAA_GVDQ
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] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-10-19 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 1.1111 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 101.045, 58.282, 58.793 |
| Unit cell angles | 90.00, 125.05, 90.00 |
Refinement procedure
| Resolution | 48.133 - 2.200 |
| R-factor | 0.2483 |
| Rwork | 0.246 |
| R-free | 0.27700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHENIX |
| Refinement software | PHENIX (dev_3026) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.133 | 1.890 |
| High resolution limit [Å] | 1.820 | 1.820 |
| Rmerge | 0.041 | |
| Rmeas | 0.045 | |
| Rpim | 0.018 | |
| Number of reflections | 23257 | 1365 |
| <I/σ(I)> | 14.1 | |
| Completeness [%] | 92.4 | 54.62 |
| Redundancy | 6.3 | |
| CC(1/2) | 0.011 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 291 | 2.0 M sodium formate, 0.1 M sodium acetate pH 4.6 |
