9R2B
De novo-designed alpha-helical barrel
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID30B |
| Synchrotron site | ESRF |
| Beamline | ID30B |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-02-08 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 0.87313 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 149.400, 33.270, 102.710 |
| Unit cell angles | 90.00, 133.13, 90.00 |
Refinement procedure
| Resolution | 37.280 - 2.100 |
| R-factor | 0.2702 |
| Rwork | 0.267 |
| R-free | 0.30740 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.350 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.21.2_5419) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 37.280 | 2.150 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rpim | 0.112 | |
| Number of reflections | 61200 | 3322 |
| <I/σ(I)> | 3.62 | |
| Completeness [%] | 99.6 | |
| Redundancy | 1.8 | |
| CC(1/2) | 0.996 | 0.624 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | 0.1 M Tris (base) and bicine (pH 8.5), 20% PEG500MME, 10% PEG20,000, and 0.06 M of a divalent mixture containing MgCl2 and CaCl2 |
