3GGI
Locating monovalent cations in one turn of G/C rich B-DNA
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-ID |
Synchrotron site | APS |
Beamline | 22-ID |
Temperature [K] | 120 |
Detector technology | IMAGE PLATE |
Collection date | 2004-10-21 |
Detector | MAR scanner 300 mm plate |
Wavelength(s) | 0.97582 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 32.277, 25.204, 34.095 |
Unit cell angles | 90.00, 116.10, 90.00 |
Refinement procedure
Resolution | 15.310 - 0.980 |
R-factor | 0.12019 |
Rwork | 0.118 |
R-free | 0.14397 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | DNA coordinates from PDB Entry 1bd1 (Heinemann and Alings) |
RMSD bond length | 0.010 |
RMSD bond angle | 1.892 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | CNS |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 30.600 |
High resolution limit [Å] | 0.920 |
Rmerge | 0.143 |
Number of reflections | 13522 |
<I/σ(I)> | 61 |
Completeness [%] | 76.0 |
Redundancy | 7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 277 | MPD, Magnesium acetate, Thallium acetate, Cacodylic acid, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
Crystallization Reagents
ID | crystal ID | solution ID | reagent name | concentration | details |
1 | 1 | 1 | MPD | ||
2 | 1 | 1 | Magnesium acetate | ||
3 | 1 | 1 | Thallium acetate | ||
4 | 1 | 1 | Cacodylic acid | ||
5 | 1 | 2 | MPD | ||
6 | 1 | 2 | Magnesium acetate | ||
7 | 1 | 2 | Thallium acetate | ||
8 | 1 | 2 | Cacodylic acid |