2X2Q
Crystal structure of an 'all locked' LNA duplex at 1.9 angstrom resolution
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ELETTRA BEAMLINE 5.2R |
Synchrotron site | ELETTRA |
Beamline | 5.2R |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-05-08 |
Detector | MARRESEARCH |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 77.913, 40.737, 30.059 |
Unit cell angles | 90.00, 91.02, 90.00 |
Refinement procedure
Resolution | 38.950 - 1.900 |
R-factor | 0.22551 |
Rwork | 0.224 |
R-free | 0.26370 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3gvn |
RMSD bond length | 0.016 |
RMSD bond angle | 3.371 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 38.950 | 1.930 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.070 | 0.220 |
Number of reflections | 7382 | |
<I/σ(I)> | 19.7 | 1 |
Completeness [%] | 98.0 | 97.2 |
Redundancy | 4.8 | 3.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 5.5 | 40 MM SODIUM CACODYLATE (PH 5.5), 20 MM COBALT HEXAMMINE, 80 MM SODIUM CHLORIDE, 20 MM MAGNESIUM CHLORIDE, 10% (V/V) MPD EQILIBRATED AGAINST 35% (V/V) MPD (PH 7.4) |