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 |