1I47
MOLECULAR AND CRYSTAL STRUCTURE OF D(CGCGAATT(MO4)CGCG): THE WATSON-CRICK TYPE AND WOBBLE N4-METHOXYCYTIDINE/GUANOSINE BASE PAIRS IN B-DNA
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE BL-6B |
Synchrotron site | Photon Factory |
Beamline | BL-6B |
Temperature [K] | 100 |
Detector technology | DIFFRACTOMETER |
Collection date | 2000-01-23 |
Detector | WEISSENBERG |
Wavelength(s) | 1.0 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 25.300, 41.400, 64.300 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 10.000 - 2.100 |
Rwork | 0.213 |
R-free | 0.25500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 355d |
RMSD bond length | 0.004 |
RMSD bond angle | 0.900 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | CNS (1.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 100.000 | 2.210 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.027 | 0.145 |
Number of reflections | 3959 | |
<I/σ(I)> | 22.6 | 5.1 |
Completeness [%] | 93.8 | 85.7 |
Redundancy | 5.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 277 | MPD, magnesium acetate, spermine, sodium cacodylate. pH 7.0, VAPOR DIFFUSION, HANGING DROP at 277 K |
Crystallization Reagents
ID | crystal ID | solution ID | reagent name | concentration | details |
1 | 1 | 1 | magnesium acetate | ||
2 | 1 | 1 | spermine | ||
3 | 1 | 1 | sodium cacodylate | ||
4 | 1 | 1 | MPD | ||
5 | 1 | 2 | MPD |