4I7Y
Crystal Structure of Human Alpha Thrombin in Complex with a 27-mer Aptamer Bound to Exosite II
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ELETTRA BEAMLINE 5.2R |
| Synchrotron site | ELETTRA |
| Beamline | 5.2R |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-03-21 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 1.2651 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 48.144, 81.904, 53.720 |
| Unit cell angles | 90.00, 99.66, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.400 |
| R-factor | 0.184 |
| Rwork | 0.181 |
| R-free | 0.24900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.687 |
| Data reduction software | DENZO |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.490 |
| High resolution limit [Å] | 2.400 | 5.170 | 2.400 |
| Number of reflections | 16132 | ||
| Completeness [%] | 99.8 | 99.6 | 98.9 |
| Redundancy | 4.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | 14% PEG 3350, 0.2 M sodium citrate, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
