3WIF
Crystal structure of anti-prostaglandin E2 Fab fragment 9Cl-PGF2beta complex
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 21 |
| Unit cell lengths | 70.660, 82.310, 82.560 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 35.330 - 1.700 |
| R-factor | 0.1729 |
| Rwork | 0.172 |
| R-free | 0.18980 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2ddq |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.035 |
| 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] | 35.640 | 1.790 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.100 | 0.406 |
| Number of reflections | 53235 | |
| <I/σ(I)> | 3.8 | |
| Completeness [%] | 99.2 | 94.4 |
| Redundancy | 7 | 7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | OIL MICROBATCH | 5 | 293 | 0.1M Na acetate, 25%(w/v) PEG3350, pH 5.0, OIL MICROBATCH, temperature 293K |
