4BKL
Crystal structure of the arthritogenic antibody M2139 (Fab fragment) in complex with the triple-helical J1 peptide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-4 |
| Synchrotron site | ESRF |
| Beamline | ID14-4 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-07-19 |
| Detector | ADSC QUANTUM 210 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 95.180, 95.180, 190.420 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 50.000 - 3.250 |
| R-factor | 0.22378 |
| Rwork | 0.222 |
| R-free | 0.26270 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2y5t |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.556 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 82.500 | 3.430 |
| High resolution limit [Å] | 3.250 | 3.250 |
| Rmerge | 0.080 | 0.640 |
| Number of reflections | 16327 | |
| <I/σ(I)> | 13.5 | 2 |
| Completeness [%] | 99.7 | 99.4 |
| Redundancy | 4.7 | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7 | 1.7 M AMMONIUM SULPHATE, 0.1 M HEPES PH 7.0, 10 % DIOXANE |
