4XPE
Crystal structure of 5'-CTTATGGGCCCATAAG in a host-guest complex
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 23-ID-D |
Synchrotron site | APS |
Beamline | 23-ID-D |
Temperature [K] | 93 |
Detector technology | PIXEL |
Collection date | 2014-11-16 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97933 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 54.623, 145.385, 46.801 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 26.842 - 1.780 |
R-factor | 0.2166 |
Rwork | 0.215 |
R-free | 0.23710 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.006 |
RMSD bond angle | 1.064 |
Data scaling software | Aimless (0.3.11) |
Phasing software | PHASER |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 28.710 | 28.710 | 1.820 |
High resolution limit [Å] | 1.780 | 8.900 | 1.780 |
Rmerge | 0.040 | 0.026 | 0.388 |
Rpim | 0.020 | 0.013 | 0.192 |
Total number of observations | 184656 | 1538 | 10512 |
Number of reflections | 36612 | ||
<I/σ(I)> | 22.7 | 54.3 | 4.3 |
Completeness [%] | 99.9 | 97 | 100 |
Redundancy | 5 | 4.4 | 5 |
CC(1/2) | 0.999 | 0.999 | 0.928 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | PEG 4000 |