4XO0
Crystal structure of 5'-CTTATPPTAZZATAAG in a host-guest complex
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-BM |
Synchrotron site | APS |
Beamline | 19-BM |
Temperature [K] | 93 |
Detector technology | CCD |
Collection date | 2014-08-20 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 0.97911 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 54.638, 145.359, 46.878 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.258 - 1.700 |
R-factor | 0.2206 |
Rwork | 0.220 |
R-free | 0.24050 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 1.168 |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.830 |
High resolution limit [Å] | 1.700 | 4.880 | 1.800 |
Rmerge | 0.054 | 0.041 | 0.420 |
Rmeas | 0.060 | 0.046 | 0.484 |
Rpim | 0.026 | 0.020 | 0.235 |
Total number of observations | 178730 | ||
Number of reflections | 41362 | ||
<I/σ(I)> | 15 | ||
Completeness [%] | 99.3 | 95 | 96.7 |
Redundancy | 5 | 5 | 3.8 |
CC(1/2) | 0.996 | 0.882 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | PEG 4000 |