9M5D
Crystal structure of S. aureus protein A bound to a human single-domain antibody
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL10U2 |
| Synchrotron site | SSRF |
| Beamline | BL10U2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-10-30 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.97903 |
| Spacegroup name | I 4 2 2 |
| Unit cell lengths | 173.973, 173.973, 79.611 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 55.020 - 3.570 |
| R-factor | 0.2351 |
| Rwork | 0.233 |
| R-free | 0.27080 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.773 |
| Data reduction software | DIALS |
| Data scaling software | DIALS |
| Phasing software | PHENIX (1.18.2_3874) |
| Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 123.200 | 3.660 |
| High resolution limit [Å] | 3.570 | 3.570 |
| Rmerge | 0.671 | 3.018 |
| Number of reflections | 7538 | 537 |
| <I/σ(I)> | 5.4 | |
| Completeness [%] | 99.6 | |
| Redundancy | 23.7 | |
| CC(1/2) | 0.983 | 0.693 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 25% w/v Polyethylene glycol 3350, 0.2M Magnesium chloride and 0.1M BIS-Tris 5.5 |
