9HAE
Dust mite allergen Der f 7 with computationally designed DerF7_b2 binder
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE MASSIF-3 |
| Synchrotron site | ESRF |
| Beamline | MASSIF-3 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-09-07 |
| Detector | DECTRIS EIGER X 4M |
| Wavelength(s) | 0.96770 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 55.710, 90.250, 63.410 |
| Unit cell angles | 90.00, 93.02, 90.00 |
Refinement procedure
| Resolution | 42.930 - 2.220 |
| R-factor | 0.2032 |
| Rwork | 0.202 |
| R-free | 0.23580 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.690 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX (dev_5316) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 42.930 | 2.300 |
| High resolution limit [Å] | 2.220 | 2.220 |
| Rmerge | 0.058 | 0.640 |
| Number of reflections | 50681 | 5051 |
| <I/σ(I)> | 6.25 | 0.94 |
| Completeness [%] | 95.2 | 96.34 |
| Redundancy | 1.4 | 1.5 |
| CC(1/2) | 0.999 | 0.643 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 289.15 | 0.1 M MES pH 6.5, 0.2 M KSCN, 25 % w/v PEG 2000 MME |
