5MUB
ACC1 Fab fragment in complex with citrullinated C1 epitope of CII (CG05)
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 | 2015-05-10 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9763 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 148.286, 155.099, 156.266 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 78.140 - 3.100 |
| R-factor | 0.23296 |
| Rwork | 0.231 |
| R-free | 0.26396 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5mu0 |
| RMSD bond length | 0.009 |
| 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] | 78.140 | 3.170 |
| High resolution limit [Å] | 3.100 | 3.100 |
| Rmerge | 0.153 | 0.807 |
| Number of reflections | 65914 | 4370 |
| <I/σ(I)> | 10.1 | 1.9 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 4.7 | 4.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 20% (w/v) PEG 3350, 0.1 M Bistris-Propane pH 6.5, 0.2 M NaBr |
