7ZKN
X-ray structure of the complex between human alpha thrombin and a pseudo-cyclic thrombin binding aptamer (TBA-NNp/DDp) - Crystal form gamma
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ELETTRA BEAMLINE 11.2C |
Synchrotron site | ELETTRA |
Beamline | 11.2C |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-02-05 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.0000 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 76.620, 114.860, 83.440 |
Unit cell angles | 90.00, 117.25, 90.00 |
Refinement procedure
Resolution | 68.130 - 3.030 |
R-factor | 0.2027 |
Rwork | 0.201 |
R-free | 0.24290 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ppb |
RMSD bond length | 0.003 |
RMSD bond angle | 1.031 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 68.130 | 3.090 |
High resolution limit [Å] | 3.030 | 3.030 |
Number of reflections | 24860 | 1266 |
<I/σ(I)> | 11.2 | 2.2 |
Completeness [%] | 99.6 | 99.8 |
Redundancy | 6.6 | |
CC(1/2) | 1.000 | 0.800 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | PEG 3350 25% w/v, ammonium acetate 0.2 M, Bis-Tris 0.1 M, pH 6.5 |