5E8E
Crystal structure of thrombin bound to an exosite 1-specific IgA Fab
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-11-27 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 66.769, 92.229, 147.487 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 60.830 - 1.900 |
| R-factor | 0.20334 |
| Rwork | 0.201 |
| R-free | 0.24414 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDB ENTRIES 1PPB AND 2HFF |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.217 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 73.740 | 2.000 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.110 | 0.920 |
| Number of reflections | 72417 | |
| <I/σ(I)> | 10.2 | 1.9 |
| Completeness [%] | 99.8 | 99.9 |
| Redundancy | 6.9 | 7.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 4.2 | 298 | 100MM SODIUM PHOSPHATE/CITRATE, PH 4.2, 40% PEG300 |
