2Y5T
Crystal structure of the pathogenic autoantibody CIIC1 in complex with the triple-helical C1 peptide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-04-12 |
| Detector | ADSC QUANTUM 315 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 81.050, 81.050, 168.450 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 43.850 - 2.200 |
| R-factor | 0.19127 |
| Rwork | 0.188 |
| R-free | 0.24544 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2vl5 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.270 |
| Data reduction software | iMOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.4.0078) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 56.200 | 2.320 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.120 | 0.630 |
| Number of reflections | 33244 | |
| <I/σ(I)> | 11.5 | 2 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 5.2 | 5.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8 | 100 MM TRIS PH 8.0, 55-57% (V/V) 2-METHYL-2,4-PENTANEDIOL. |
