2C1P
Fab-fragment of enantioselective antibody complexed with finrozole
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE X13 |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | X13 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-02-03 |
| Detector | MARRESEARCH |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 70.815, 87.419, 141.684 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 25.000 - 2.000 |
| R-factor | 0.2302 |
| Rwork | 0.230 |
| R-free | 0.28530 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1f8t |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.397 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.000 | 2.120 |
| High resolution limit [Å] | 2.050 | 2.050 |
| Rmerge | 0.120 | 0.300 |
| Number of reflections | 171606 | |
| <I/σ(I)> | 7.1 | 4 |
| Completeness [%] | 78.3 | 68.9 |
| Redundancy | 3.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8.5 | 22% PEG3350,0.1 M TRIS,10 EXCESS LIGAND, pH 8.50 |
