8U5R
Structure of Mango II variant aptamer bound to T01-6A
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.2 |
Synchrotron site | ALS |
Beamline | 5.0.2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-12-20 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 1.000 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 36.929, 180.748, 106.248 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.800 - 2.600 |
R-factor | 0.2054 |
Rwork | 0.200 |
R-free | 0.23900 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.001 |
RMSD bond angle | 0.364 |
Data reduction software | DIALS (3.8) |
Data scaling software | DIALS (3.8) |
Phasing software | PHENIX (1.19.2_4158) |
Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.800 | 2.693 |
High resolution limit [Å] | 2.600 | 2.600 |
Number of reflections | 11414 | 1114 |
<I/σ(I)> | 16.83 | |
Completeness [%] | 99.7 | |
Redundancy | 12.3 | |
CC(1/2) | 0.999 | 0.823 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 294 | Magnesium chloride hexahydrate, MOPS, Tacsimate, hexamine cobalt (III) chloride, and 1-propanol |