7ON6
Crystal structure of the computationally designed SAKe6AE protein
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06DA |
| Synchrotron site | SLS |
| Beamline | X06DA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-05-20 |
| Detector | DECTRIS PILATUS 2M-F |
| Wavelength(s) | 1.00003 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 82.767, 82.767, 90.023 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 41.380 - 1.350 |
| R-factor | 0.1307 |
| Rwork | 0.130 |
| R-free | 0.15200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | Designed model |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | PHASER (2.8.3) |
| Refinement software | PHENIX (1.19.2-4158) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 45.010 | 45.010 | 1.370 |
| High resolution limit [Å] | 1.350 | 7.390 | 1.350 |
| Rmerge | 0.035 | 0.022 | 0.572 |
| Rmeas | 0.036 | 0.023 | 0.589 |
| Rpim | 0.008 | 0.005 | 0.139 |
| Total number of observations | 9738 | 68723 | |
| Number of reflections | 151588 | 554 | 3854 |
| <I/σ(I)> | 47 | 121.9 | 6.3 |
| Completeness [%] | 100.0 | 99.6 | 100 |
| Redundancy | 19.6 | 17.6 | 17.8 |
| CC(1/2) | 1.000 | 1.000 | 0.957 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293.15 | 0.2 M tri-potassium citrate, 1.6 M AmSO4 |
