2XZQ
CRYSTAL STRUCTURE ANALYSIS OF THE ANTI-(4-HYDROXY-3-NITROPHENYL)- ACETYL MURINE GERMLINE MONOCLONAL ANTIBODY BBE6.12H3 FAB FRAGMENT IN COMPLEX WITH A PHAGE DISPLAY DERIVED DODECAPEPTIDE YQLRPNAETLRF
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 | 2009-07-29 |
| Detector | MARMOSAIC 225 mm CCD |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 55.920, 65.280, 113.560 |
| Unit cell angles | 90.00, 90.19, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.400 |
| R-factor | 0.2407 |
| Rwork | 0.241 |
| R-free | 0.25060 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | NATIVE FAB STRUCTURE |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.818 |
| 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] | 39.820 | 6.900 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.060 | 0.170 |
| Number of reflections | 16150 | |
| <I/σ(I)> | 18.5 | 7.9 |
| Completeness [%] | 99.3 | 98.1 |
| Redundancy | 6.2 | 6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.1 | 0.05 M TRIS HCL, 0.025% SODIUM AZIDE, PEG 3350., pH 7.1 |
