7ON8
Crystal structure of the computationally designed SAKe6AR 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 21 21 21 |
| Unit cell lengths | 45.941, 63.286, 99.786 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 41.730 - 1.500 |
| R-factor | 0.169 |
| Rwork | 0.168 |
| R-free | 0.18620 |
| 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] | 45.940 | 45.940 | 1.530 |
| High resolution limit [Å] | 1.500 | 8.220 | 1.500 |
| Rmerge | 0.064 | 0.023 | 1.184 |
| Rmeas | 0.067 | 0.024 | 1.233 |
| Rpim | 0.018 | 0.007 | 0.338 |
| Total number of observations | 619671 | 4132 | 30376 |
| Number of reflections | 47455 | 361 | 2335 |
| <I/σ(I)> | 24.5 | 82.4 | 2.4 |
| Completeness [%] | 100.0 | 99.6 | 100 |
| Redundancy | 13.1 | 11.4 | 13 |
| CC(1/2) | 1.000 | 1.000 | 0.788 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293.15 | 58% (v/v) MPD, 20% (v/v) Glycerol, 0.085 M HEPES |
