9HAF
Dust mite allergen Der f 7 with computationally designed DerF7_b2 binder
This is a non-PDB format compatible entry.
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 | C 1 2 1 |
| Unit cell lengths | 118.810, 95.880, 87.310 |
| Unit cell angles | 90.00, 100.50, 90.00 |
Refinement procedure
| Resolution | 59.610 - 2.990 |
| R-factor | 0.2229 |
| Rwork | 0.220 |
| R-free | 0.27320 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.785 |
| 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] | 59.610 | 3.180 |
| High resolution limit [Å] | 2.990 | 2.990 |
| Rmerge | 0.055 | 0.601 |
| Number of reflections | 34725 | 6058 |
| <I/σ(I)> | 7.77 | 1.09 |
| Completeness [%] | 94.0 | 96.67 |
| Redundancy | 1.3 | 1.3 |
| CC(1/2) | 0.997 | 0.774 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 289.15 | 0.1 M MES pH 6.5, 20 % v/v PEG Smear High BCS |
