2FZA
Crystal structure of d(GCGGGAGC): the base-intercalated duplex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL44XU |
| Synchrotron site | SPring-8 |
| Beamline | BL44XU |
| Detector technology | CCD |
| Collection date | 2003-06-03 |
| Detector | MAC Science DIP-2040 |
| Wavelength(s) | 0.900 |
| Spacegroup name | P 63 |
| Unit cell lengths | 36.368, 36.368, 62.826 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 10.000 - 3.600 |
| Rwork | 0.294 |
| R-free | 0.32900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.200 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | AMoRE |
| Refinement software | CNS |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 31.496 | 31.500 | 3.790 |
| High resolution limit [Å] | 3.605 | 11.380 | 3.600 |
| Rmerge | 0.112 | 0.082 | 0.293 |
| Total number of observations | 148 | 689 | |
| Number of reflections | 525 | 17 | 45 |
| <I/σ(I)> | 3.1 | 5.7 | 2.5 |
| Completeness [%] | 93.6 | ||
| Redundancy | 14.5 | 8.7 | 15.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 50mM sodium cacodylate, 10mM spermine tetrahydrochloride, 20mM calcium chloride, 100mM sodium chloride, 10%(v/v) 2-methyl-2,4-pentanediol, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | sodium cacodylate | ||
| 10 | 1 | 2 | HOH | ||
| 2 | 1 | 1 | spermine tetrahydrochloride | ||
| 3 | 1 | 1 | calcium chloride | ||
| 4 | 1 | 1 | sodium chloride | ||
| 5 | 1 | 1 | 2-methyl-2,4-pentanediol | ||
| 6 | 1 | 1 | HOH | ||
| 7 | 1 | 2 | sodium cacodylate | ||
| 8 | 1 | 2 | calcium chloride | ||
| 9 | 1 | 2 | sodium chloride |
