5MV4
ACC1 Fab fragment in complex with citrullinated CII616-639 epitope of collagen type II (ptm23)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.1 |
| Synchrotron site | BESSY |
| Beamline | 14.1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-08-21 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9184 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 119.238, 91.601, 182.357 |
| Unit cell angles | 90.00, 91.52, 90.00 |
Refinement procedure
| Resolution | 32.800 - 2.900 |
| R-factor | 0.23305 |
| Rwork | 0.232 |
| R-free | 0.24651 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5mu0 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.459 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0155) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 32.800 | 2.950 |
| High resolution limit [Å] | 2.900 | 2.900 |
| Rmerge | 0.182 | 0.745 |
| Number of reflections | 84765 | 4516 |
| <I/σ(I)> | 6.9 | 1.9 |
| Completeness [%] | 97.3 | 97.4 |
| Redundancy | 4.6 | 4.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 293 | 20% (w/v) PEG 6000, 0.1 M MES pH 6.0, 0.2 M CaCl2 |
