1ZFH
TTA Duplex B-DNA
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 14-BM-D |
Synchrotron site | APS |
Beamline | 14-BM-D |
Temperature [K] | 103 |
Detector technology | CCD |
Collection date | 2004-02-26 |
Detector | ADSC QUANTUM 4 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 61.807, 24.348, 41.852 |
Unit cell angles | 90.00, 122.74, 90.00 |
Refinement procedure
Resolution | 17.600 - 2.510 |
R-factor | 0.324 |
Rwork | 0.320 |
R-free | 0.35900 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | NDB ENTRY BD0028 |
RMSD bond angle | 2.943 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | EPMR |
Refinement software | REFMAC (5.2.0003) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 99.000 | 2.590 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.038 | 0.403 |
Number of reflections | 1742 | |
<I/σ(I)> | 16.5 | 1.3 |
Completeness [%] | 92.6 | 67.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7 | 298 | Na Cacodylate, CaCl2, Spermine, MPD in resevoir, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 298K, pH 7.00 |
Crystallization Reagents
ID | crystal ID | solution ID | reagent name | concentration | details |
1 | 1 | 1 | Na Cacodylate | ||
2 | 1 | 1 | CaCl2 | ||
3 | 1 | 1 | Spermine | ||
4 | 1 | 1 | MPD | ||
5 | 1 | 1 | H2O | ||
6 | 1 | 2 | Na Cacodylate | ||
7 | 1 | 2 | CaCl2 | ||
8 | 1 | 2 | MPD | ||
9 | 1 | 2 | H2O |