9WYU
The crystal structure of reduced AP10, a de novo designed and disulfide-stabilized anti-parallel beta-sheet protein.
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL18U1 |
| Synchrotron site | SSRF |
| Beamline | BL18U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2025-06-24 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97853 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 90.682, 214.404, 134.536 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.790 - 3.010 |
| R-factor | 0.1568 |
| Rwork | 0.153 |
| R-free | 0.22220 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.880 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | REFMAC |
| Refinement software | PHENIX (1.21.2_5419) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.790 | 3.190 |
| High resolution limit [Å] | 3.010 | 3.010 |
| Rmerge | 0.135 | 1.747 |
| Rpim | 0.056 | 0.709 |
| Number of reflections | 26296 | 2870 |
| <I/σ(I)> | 16.3 | 1.9 |
| Completeness [%] | 99.5 | 99.5 |
| Redundancy | 13.1 | |
| CC(1/2) | 0.999 | 0.757 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.2 M Magnesium chloride hexahydrate, 0.1 M Sodium citrate tribasic dihydrate, pH 5.0, 10% (w/v) PEG 20000 |
