1M69
Atomic Resolution Structure of 5Br-9amino-DACA with d[CGTACG]2
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE X11 |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | X11 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2001-12-10 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.8068 |
| Spacegroup name | P 64 |
| Unit cell lengths | 30.186, 30.186, 39.443 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 10.000 - 1.100 |
| R-factor | 0.1325 |
| Rwork | 0.133 |
| R-free | 0.18640 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | ddf073 structure with corrected sequence |
| RMSD bond length | 0.037 |
| RMSD bond angle | 0.000 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | SHELX |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 10.000 | 1.150 |
| High resolution limit [Å] | 1.100 | 1.100 |
| Number of reflections | 8308 | |
| Completeness [%] | 94.7 | 95.79 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 290.15 | Ammonium acetate, magnesium acetate, sodium cacodylate, PEG 8000, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 290.15K |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | Ammonium acetate | ||
| 2 | 1 | 1 | magnesium acetate | ||
| 3 | 1 | 1 | sodium cacodylate | ||
| 4 | 1 | 1 | PEG 8000 |
