9J8A
Structure of antibody BA8 in complex with sulfated peptide from CCR5
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-5A |
| Synchrotron site | Photon Factory |
| Beamline | BL-5A |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-12-20 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 50.129, 70.943, 60.984 |
| Unit cell angles | 90.00, 97.93, 90.00 |
Refinement procedure
| Resolution | 40.680 - 1.750 |
| R-factor | 0.16666 |
| Rwork | 0.165 |
| R-free | 0.20560 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.580 |
| Data reduction software | XDS (20210323) |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | PHASER (2.8.3) |
| Refinement software | REFMAC (5.8.0425) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.680 | 1.780 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Rmerge | 0.128 | 0.976 |
| Rpim | 0.052 | 0.406 |
| Number of reflections | 42109 | 2263 |
| <I/σ(I)> | 11.7 | 2.1 |
| Completeness [%] | 98.7 | 97.8 |
| Redundancy | 6.8 | |
| CC(1/2) | 0.997 | 0.715 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293.15 | 10% PEG 1000, 10% PEG 8,000 |
