2Y36
Crystal structure analysis of the anti-(4-hydroxy-3-nitrophenyl)- acetyl murine germline antibody BBE6.12H3 Fab fragment in complex with a phage display derived dodecapeptide DLWTTAIPTIPS
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM14 |
| Synchrotron site | ESRF |
| Beamline | BM14 |
| Temperature [K] | 287 |
| Detector technology | CCD |
| Collection date | 2009-08-28 |
| Detector | MARMOSAIC 225 mm CCD |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 56.010, 63.620, 113.380 |
| Unit cell angles | 90.00, 90.40, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.700 |
| R-factor | 0.2305 |
| Rwork | 0.231 |
| R-free | 0.24770 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | NATIVE FAB |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.964 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | CNS (1.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 8.500 |
| High resolution limit [Å] | 2.700 | 2.700 |
| Rmerge | 0.070 | 0.280 |
| Number of reflections | 11098 | |
| <I/σ(I)> | 11.3 | 4.1 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 5.1 | 5.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.1 | 0.05M TRIS HCL, 0.025% SODIUM AZIDE, PEG 3350., pH 7.1 |
