3QLP
X-ray structure of the complex between human alpha thrombin and a modified thrombin binding aptamer (mTBA)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-04-07 |
Detector | RIGAKU SATURN 944+ |
Wavelength(s) | 1.5418 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 68.208, 110.574, 120.916 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 25.100 - 2.140 |
R-factor | 0.186 |
Rwork | 0.183 |
R-free | 0.23700 |
Structure solution method | MOLECULAR REPLACEMENT |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | AMoRE |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 25.100 | 2.230 |
High resolution limit [Å] | 2.140 | 2.140 |
Number of reflections | 23642 | |
Completeness [%] | 93.0 | 93.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.8 | 293 | 20% w/v PEG 20000, 0.2M ammonium sulfate, 3% n-propanol, 0.1 M sodium acetate pH 5.8, VAPOR DIFFUSION, SITTING DROP, temperature 293K |