2BMK
Fab fragment of PLP-dependent catalytic antibody 15A9 in complex with phosphopyridoxyl-D-alanine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-3 |
| Synchrotron site | ESRF |
| Beamline | ID14-3 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2003-07-04 |
| Detector | MARRESEARCH |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 63.152, 81.152, 79.331 |
| Unit cell angles | 90.00, 90.35, 90.00 |
Refinement procedure
| Resolution | 40.000 - 2.300 |
| R-factor | 0.2097 |
| Rwork | 0.210 |
| R-free | 0.27250 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1wcb |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.379 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 2.340 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.090 | 0.590 |
| Number of reflections | 32263 | |
| <I/σ(I)> | 14.2 | 2.5 |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 3.7 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 6 | 298 | 30%PEG 3350, 200MM SODIUM IODIDE, 50MM SODIUM ACETATE, PH6, VAPOR DIFFUSION, TEMPERATURE 298K, pH 6.00 |
