1I3T
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-18B |
Synchrotron site | Photon Factory |
Beamline | BL-18B |
Temperature [K] | 100 |
Detector technology | DIFFRACTOMETER |
Collection date | 1999-04-18 |
Detector | WEISSENBERG |
Wavelength(s) | 1.0 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 25.182, 40.877, 63.731 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 10.000 - 1.600 |
R-factor | 0.224 * |
Rwork | 0.224 |
R-free | 0.25600 |
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 | 1.660 |
High resolution limit [Å] | 1.600 | 1.600 |
Rmerge | 0.080 | |
Number of reflections | 9068 | |
Completeness [%] | 97.6 | 93.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 4 * | MPD, magnesium acetate, spermine, sodium cacodylate. pH 7.0, VAPOR DIFFUSION, HANGING DROP at 277 K |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 4 * | 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 |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | DNA | 1.25 (mM) | |
2 | 1 | reservoir | MPD | 28 (%(v/v)) | |
3 | 1 | reservoir | magnesium acetate | 36 (mM) | |
4 | 1 | reservoir | spermine tetrahydrochloride | 9 (mM) | |
5 | 1 | reservoir | sodium cacodylate | 20 (mM) |