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 |