6SF6
Crystal structure of the mAb 15A in complex with COMP-epitope P6
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-05-10 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9763 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 80.174, 84.421, 151.885 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 84.000 - 1.900 |
| R-factor | 0.1752 |
| Rwork | 0.174 |
| R-free | 0.20310 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1iqw 2ipt |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.301 |
| Data reduction software | xia2 |
| Data scaling software | Aimless (0.2.17) |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0069) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 84.420 | 1.940 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.062 | 0.539 |
| Rmeas | 0.071 | 0.617 |
| Rpim | 0.034 | 0.292 |
| Total number of observations | 318137 | |
| Number of reflections | 80712 | 4597 |
| <I/σ(I)> | 12.6 | |
| Completeness [%] | 98.9 | 99.3 |
| Redundancy | 3.9 | 3.9 |
| CC(1/2) | 0.998 | 0.731 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.4 | 293 | 30% polyethylene glycol 8000, 0.2 M ammonium sulphate 10 mg/ml 15A Fab fragment + P6 peptide (molar ratio 1:1.2) in 20 mM Tris HCl pH 7.4, 50 mM NaCl |
