6EO7
X-ray structure of the complex between human alpha-thrombin and modified 15-mer DNA aptamer containing 5-(3-(acetamide-N-yl)-1-propen-1-yl)-2'-deoxyuridine residue
Replaces: 5LUYExperimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.1 |
Synchrotron site | BESSY |
Beamline | 14.1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-04-29 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9184 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 94.579, 94.579, 125.566 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 81.910 - 2.240 |
R-factor | 0.16299 |
Rwork | 0.161 |
R-free | 0.20848 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1hao |
RMSD bond length | 0.020 |
RMSD bond angle | 2.306 |
Data reduction software | XDS |
Data scaling software | Aimless (0.5.25) |
Phasing software | MOLREP (11.4.05) |
Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.290 | 2.310 |
High resolution limit [Å] | 2.240 | 2.240 |
Rmerge | 0.091 | 0.702 |
Number of reflections | 30342 | |
<I/σ(I)> | 15.3 | 1.7 |
Completeness [%] | 95.4 | 73.4 |
Redundancy | 7 | 4.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 281 | 25% W/V PEG4000, 24% V/V 2-PROPANOL, 0.2 M SODIUM CITRATE |