5MU0
ACC1 Fab fragment in complex with citrullinated C1 epitope of CII (IA03)
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 | 2013-08-14 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9763 |
| Spacegroup name | P 1 |
| Unit cell lengths | 87.147, 93.052, 121.751 |
| Unit cell angles | 92.75, 106.45, 104.37 |
Refinement procedure
| Resolution | 78.150 - 2.700 |
| R-factor | 0.25347 |
| Rwork | 0.252 |
| R-free | 0.27877 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2or9 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.482 |
| 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] | 78.150 | 2.750 |
| High resolution limit [Å] | 2.700 | 2.700 |
| Rmerge | 0.077 | 0.553 |
| Rpim | 0.077 | 0.553 |
| Number of reflections | 87706 | 4457 |
| <I/σ(I)> | 20.1 | 6.1 |
| Completeness [%] | 90.6 | 89.7 |
| Redundancy | 2.9 | 2.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 16% (w/v) PEG 8000, 0.1 M Hepes pH 7.0 |
