9S7R
Structure of the de novo protein scaffold MID1sc9_4xE
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1) |
| Synchrotron site | PETRA III, EMBL c/o DESY |
| Beamline | P13 (MX1) |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-10-27 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.9762 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 29.090, 64.650, 46.710 |
| Unit cell angles | 90.00, 107.87, 90.00 |
Refinement procedure
| Resolution | 27.610 - 1.250 |
| R-factor | 0.15075 |
| Rwork | 0.149 |
| R-free | 0.17392 |
| Structure solution method | AB INITIO PHASING |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.322 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | Arcimboldo |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.350 |
| High resolution limit [Å] | 1.250 | 1.250 |
| Rmerge | 0.057 | 0.697 |
| Number of reflections | 44775 | 9155 |
| <I/σ(I)> | 11.4 | 2 |
| Completeness [%] | 98.4 | 98.3 |
| Redundancy | 3.42 | 3.35 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293.15 | 0.96 M Sodium citrate pH 7.0 |
