2GOT
Crystal structure of d(GCGAACGC): two types of bulge-containing duplexes
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE BL-18B |
Synchrotron site | Photon Factory |
Beamline | BL-18B |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2000-11-19 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 1.00, 0.91955, 0.92010 |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 26.830, 26.830, 226.325 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 25.147 - 2.602 |
R-factor | 0.254 |
Rwork | 0.253 |
R-free | 0.26900 |
RMSD bond length | 0.017 |
RMSD bond angle | 2.654 |
Data reduction software | DPS |
Data scaling software | SCALA |
Phasing software | SOLVE |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 25.147 | 25.150 | 2.740 |
High resolution limit [Å] | 2.602 | 8.220 | 2.600 |
Rmerge | 0.054 | 0.041 | 0.266 |
Total number of observations | 883 | 2074 | |
Number of reflections | 1730 | ||
<I/σ(I)> | 8.2 | 11.6 | 2.5 |
Completeness [%] | 93.0 | 90.7 | 64.9 |
Redundancy | 15.6 | 11.8 | 12.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 277 | 40mM sodium cacodylate, 12mM spermine tetrahydrochloride, 80mM sodium chloride, 10%(v/v) 2-methyl-2,4-pentanediol, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
Crystallization Reagents
ID | crystal ID | solution ID | reagent name | concentration | details |
1 | 1 | 1 | sodium cacodylate | ||
2 | 1 | 1 | spermine tetrahydrochloride | ||
3 | 1 | 1 | sodium chloride | ||
4 | 1 | 1 | 2-methyl-2,4-pentanediol | ||
5 | 1 | 1 | HOH | ||
6 | 1 | 2 | sodium cacodylate | ||
7 | 1 | 2 | sodium chloride | ||
8 | 1 | 2 | HOH |