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 |