1ZRE
4 crystal structures of CAP-DNA with all base-pair substitutions at position 6, CAP-[6G;17C]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 | 2004-04-24 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.100 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 61.352, 75.566, 179.979 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 38.660 - 2.800 |
| R-factor | 0.285 |
| Rwork | 0.233 |
| R-free | 0.28300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1zrc |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.300 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 38.660 | 50.000 | 2.900 |
| High resolution limit [Å] | 2.800 | 6.030 | 2.800 |
| Rmerge | 0.090 | 0.056 | 0.481 |
| Number of reflections | 21500 | ||
| Completeness [%] | 98.6 | ||
| Redundancy | 6.2 | 6.1 | 5.6 |
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 |
