7F6M
Crystal structure of APC complexed with a peptide inhibitor MAI-516
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL19U1 |
| Synchrotron site | SSRF |
| Beamline | BL19U1 |
| Temperature [K] | 93 |
| Detector technology | PIXEL |
| Collection date | 2020-01-02 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.978 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 87.751, 82.337, 49.743 |
| Unit cell angles | 90.00, 94.69, 90.00 |
Refinement procedure
| Resolution | 59.950 - 2.400 |
| R-factor | 0.2105 |
| Rwork | 0.208 |
| R-free | 0.25640 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5iz6 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.049 |
| Data scaling software | pointless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 59.950 | 2.440 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Number of reflections | 13724 | 687 |
| <I/σ(I)> | 9.83 | |
| Completeness [%] | 99.3 | |
| Redundancy | 7 | |
| CC(1/2) | 0.950 | 0.944 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 291 | 0.2M Ammonium sulfate 0.1M Tris pH 8.0, 25% w/v PEG 3350 |
