4C5X
Ultra High Resolution Dickerson-Drew dodecamer B-DNA with 5-Hydroxymethyl-cytosine Modification
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04-1 |
Synchrotron site | Diamond |
Beamline | I04-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2011-07-24 |
Detector | DECTRIS PILATUS 2M |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 25.300, 40.270, 64.880 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 34.200 - 1.300 |
R-factor | 0.1452 |
Rwork | 0.142 |
R-free | 0.17340 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | PDB ENRTY 1BNA |
RMSD bond length | 0.022 |
RMSD bond angle | 2.486 |
Data reduction software | xia2 |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 34.220 | 1.240 |
High resolution limit [Å] | 1.210 | 1.210 |
Rmerge | 0.020 | 0.520 |
Number of reflections | 19814 | |
<I/σ(I)> | 26.2 | 2.4 |
Completeness [%] | 95.8 | 79.4 |
Redundancy | 5.3 | 4.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7.5 | 40% MPD, SPERMINE, MAGNESIUM CHLORIDE, SODIUM CACODYLATE PH 7.5 |