8DW1
Crystal structure of a host-guest complex with 5'-CTTAGTTATAACTAAG-3'
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-10-01 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97948 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 55.126, 145.786, 46.872 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 43.968 - 1.849 |
R-factor | 0.2017 |
Rwork | 0.200 |
R-free | 0.23850 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ztw |
RMSD bond length | 0.006 |
RMSD bond angle | 1.101 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.920 |
High resolution limit [Å] | 1.849 | 3.990 | 1.850 |
Rmerge | 0.053 | 0.022 | 0.472 |
Number of reflections | 32812 | 3511 | 2936 |
<I/σ(I)> | 15.1 | ||
Completeness [%] | 98.7 | 98.5 | 90.5 |
Redundancy | 5 | 5.1 | 3.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 5 mM magnesium acetate, 50 mM ADA, pH 6.5, 9% PEG4000 |