6Z0C
Structure of in silico modelled artificial Maquette-3 protein
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-07-13 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 |
| Unit cell lengths | 62.690, 65.900, 68.260 |
| Unit cell angles | 89.86, 90.29, 117.36 |
Refinement procedure
| Resolution | 30.000 - 1.850 |
| R-factor | 0.1886 |
| Rwork | 0.189 |
| R-free | 0.22340 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | in silico Maquette model |
| RMSD bond length | 0.003 |
| RMSD bond angle | 1.096 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.950 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.051 | 0.545 |
| Number of reflections | 80776 | 11918 |
| <I/σ(I)> | 11.3 | 2.1 |
| Completeness [%] | 97.5 | 98.5 |
| Redundancy | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 100 mM HEPES, 1.5 M Potassium phosphate |
