3C5S
Crystal Structure of monoclonal Fab F22-4 specific for Shigella flexneri 2a O-Ag
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-1 |
| Synchrotron site | ESRF |
| Beamline | ID14-1 |
| Temperature [K] | 110 |
| Detector technology | CCD |
| Collection date | 2001-06-14 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.934 |
| Spacegroup name | P 1 |
| Unit cell lengths | 47.260, 59.830, 74.380 |
| Unit cell angles | 77.53, 83.97, 80.89 |
Refinement procedure
| Resolution | 72.360 - 2.000 |
| R-factor | 0.201 |
| Rwork | 0.199 |
| R-free | 0.26000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | VL/VH dimer: pdb entry 1ejo residues 2002L-2109L; pdb entry 1aj4 residues 1H-99H; CL/CH dimer: pdb entry 1f11 residues 108A-211A and 114B-227B. |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.484 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.2.0003) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 72.360 | 2.110 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.068 | 0.144 |
| Number of reflections | 50673 | |
| <I/σ(I)> | 7 | 5.1 |
| Completeness [%] | 95.8 | 94.8 |
| Redundancy | 3.8 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 290 | 24% PEG 2000 MME, 190mM MgCl2, 50mM sodium acetate, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 290K |
