5BMF
Crystal Structure of a Theophylline binding antibody Fab fragment
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X10SA |
| Synchrotron site | SLS |
| Beamline | X10SA |
| Temperature [K] | 110 |
| Detector technology | PIXEL |
| Collection date | 2013-05-17 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 0.99 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 129.438, 129.438, 92.692 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 71.434 - 2.800 |
| R-factor | 0.1881 |
| Rwork | 0.186 |
| R-free | 0.22010 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | In house Fab fragment coordinates |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.264 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | PHENIX (dev_1931) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 112.000 | 2.950 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Number of reflections | 22443 | |
| <I/σ(I)> | 3.9 | |
| Completeness [%] | 100.0 | |
| Redundancy | 8.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 8.5 | 293 | 2M Na-Formate, 0.1 M Tris |
