9HAD
Der f 21 dust mite allergen with computationally designed DerF21_b10 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 | 2024-09-21 |
| Detector | DECTRIS EIGER X 4M |
| Wavelength(s) | 0.91840 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 52.580, 65.440, 72.225 |
| Unit cell angles | 90.00, 110.86, 90.00 |
Refinement procedure
| Resolution | 46.980 - 2.750 |
| R-factor | 0.2178 |
| Rwork | 0.215 |
| R-free | 0.26720 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.529 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.21.2_5419) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.980 | 3.020 |
| High resolution limit [Å] | 2.750 | 2.750 |
| Rmerge | 0.057 | 1.995 |
| Number of reflections | 15824 | 800 |
| <I/σ(I)> | 6.7 | 0.26 |
| Completeness [%] | 89.4 | 87.65 |
| Redundancy | 2.2 | |
| CC(1/2) | 0.998 | 0.176 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 289.15 | 0.1 M Na citrate pH 5.6, 1.0 M LiSO4, 0.5 M NH4SO4 |
