9R17
De novo designed homodimeric NTF2-like protein with a hydrophobic pocket
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALBA BEAMLINE XALOC |
| Synchrotron site | ALBA |
| Beamline | XALOC |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-07-18 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.976 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 56.280, 56.280, 118.590 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 37.680 - 1.500 |
| R-factor | 0.18576 |
| Rwork | 0.184 |
| R-free | 0.21643 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.706 |
| Data reduction software | AUTOMAR |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0430) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 39.530 | 1.530 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Number of reflections | 18616 | 913 |
| <I/σ(I)> | 24.4 | |
| Completeness [%] | 100.0 | |
| Redundancy | 25.6 | |
| CC(1/2) | 1.000 | 0.701 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 2.5 M ammonium sulfate, 0.01 M magnesium acetate, MES 0.05 M pH 5.6 |
