2Y06
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 GDPRPSYISHLL
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM14 |
| Synchrotron site | ESRF |
| Beamline | BM14 |
| Temperature [K] | 288 |
| Detector technology | CCD |
| Collection date | 2009-04-12 |
| Detector | MARMOSAIC 225 mm CCD |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 55.570, 61.880, 112.500 |
| Unit cell angles | 90.00, 90.55, 90.00 |
Refinement procedure
| Resolution | 41.300 - 2.500 |
| R-factor | 0.2339 |
| Rwork | 0.234 |
| R-free | 0.26630 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | NATIVE FAB STRUCTURE |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.712 |
| 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] | 41.300 | 7.900 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.060 | 0.230 |
| Number of reflections | 13312 | |
| <I/σ(I)> | 10 | 2.5 |
| Completeness [%] | 99.8 | 99.3 |
| Redundancy | 3.9 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.1 | 301 | 0.05 M TRIS HCL, 0.025% SODIUM AZIDE, PEG 8000., pH 7.1 |
