1ZRF
4 crystal structures of CAP-DNA with all base-pair substitutions at position 6, CAP-[6C;17G]ICAP38 DNA
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X25 |
| Synchrotron site | NSLS |
| Beamline | X25 |
| Temperature [K] | 108 |
| Detector technology | CCD |
| Collection date | 2005-02-13 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.100 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 61.778, 77.745, 154.813 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 32.900 - 2.100 |
| R-factor | 0.242 |
| Rwork | 0.225 |
| R-free | 0.26600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1zrc with only central 20 bps |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.100 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | CNS |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 32.900 | 50.000 | 2.180 |
| High resolution limit [Å] | 2.100 | 4.520 | 2.100 |
| Rmerge | 0.109 | 0.050 | 0.886 |
| Number of reflections | 42032 | ||
| Completeness [%] | 97.3 | ||
| Redundancy | 6.3 | 6.3 | 5.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.2 | 295 | 2mM cAMP, 0.1M MES, 0.2M NaCl, 0.05M MgCl2, 5% PEG 8000, 15% Dioxane, pH 6.2, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | cAMP | ||
| 10 | 1 | 2 | NaCl | ||
| 11 | 1 | 2 | MgCl2 | ||
| 12 | 1 | 2 | PEG 8000 | ||
| 13 | 1 | 2 | H2O | ||
| 2 | 1 | 1 | MES | ||
| 3 | 1 | 1 | NaCl | ||
| 4 | 1 | 1 | MgCl2 | ||
| 5 | 1 | 1 | PEG 8000 | ||
| 6 | 1 | 1 | Dioxane | ||
| 7 | 1 | 1 | H2O | ||
| 8 | 1 | 2 | cAMP | ||
| 9 | 1 | 2 | MES |
