5EMG
Crystal structures of PNA p(GCTGCTGC)2 duplex containing T-T mismatches
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.2 |
Synchrotron site | BESSY |
Beamline | 14.2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-02-02 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.9184 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 28.771, 42.896, 64.253 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 1.060 |
R-factor | 0.16437 |
Rwork | 0.163 |
R-free | 0.19328 |
Structure solution method | AB INITIO PHASING |
RMSD bond length | 0.020 |
RMSD bond angle | 2.789 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | SHELXD |
Refinement software | REFMAC (5.8.0124) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 1.080 |
High resolution limit [Å] | 1.060 | 1.060 |
Rmerge | 0.600 | |
Number of reflections | 36759 | |
<I/σ(I)> | 23.9 | 2.2 |
Completeness [%] | 99.8 | 99.7 |
Redundancy | 4.5 | 4.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 292 | 6mM MgCl2, HEPES and 2.4 M lithium chloride |