5EW1
Human thrombin sandwiched between two DNA aptamers: HD22 and HD1-deltaT3
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-07-24 |
Detector | RIGAKU SATURN 944 |
Wavelength(s) | 1.5418 |
Spacegroup name | I 2 3 |
Unit cell lengths | 145.548, 145.548, 145.548 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 - 2.950 |
R-factor | 0.1584 |
Rwork | 0.155 |
R-free | 0.20800 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4i7y |
RMSD bond length | 0.018 |
RMSD bond angle | 2.006 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 3.060 |
High resolution limit [Å] | 2.950 | 6.350 | 2.950 |
Rmerge | 0.184 | 0.072 | 0.749 |
Rmeas | 0.189 | 0.074 | 0.769 |
Rpim | 0.040 | 0.016 | 0.170 |
Total number of observations | 236610 | ||
Number of reflections | 10960 | ||
<I/σ(I)> | 4.6 | ||
Completeness [%] | 100.0 | 99.9 | 100 |
Redundancy | 21.6 | 20.4 | 20.2 |
CC(1/2) | 0.999 | 0.919 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 298 | 28% MPEG 2000, 0.1 M Bis/Tris pH 6.5 |