3WE6
Crystal structure of anti-Prostaglandin E2 Fab fragment
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL26B2 |
| Synchrotron site | SPring-8 |
| Beamline | BL26B2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-10-25 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 90.890, 141.525, 40.260 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 35.381 - 2.020 |
| R-factor | 0.1893 |
| Rwork | 0.188 |
| R-free | 0.21750 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2ddq |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.021 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | PHENIX ((phenix.refine: 1.8.2_1309)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 35.620 | 2.130 |
| High resolution limit [Å] | 2.020 | 2.020 |
| Rmerge | 0.097 | 0.396 |
| Number of reflections | 35002 | |
| <I/σ(I)> | 4.4 | |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 7.2 | 7.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | oil-microbatch | 4.2 | 293 | 16%(w/v) PEG 8000, 0.2M NaCl, 10mM praseodym acetate, 0.1M Na-phosphate-citrate, pH 4.2, oil-microbatch, temperature 293K |
