1XF2
Structure of Fab DNA-1 complexed with dT3
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X12C |
Synchrotron site | NSLS |
Beamline | X12C |
Temperature [K] | 173 |
Detector technology | CCD |
Collection date | 2002-10-01 |
Detector | BRANDEIS - B4 |
Wavelength(s) | 1.0 |
Spacegroup name | P 65 2 2 |
Unit cell lengths | 170.678, 170.678, 144.667 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 29.500 - 2.300 |
R-factor | 0.20354 |
Rwork | 0.202 |
R-free | 0.24194 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1i8m |
RMSD bond length | 0.013 |
RMSD bond angle | 1.402 |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | REFMAC (5.1.24) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 29.500 | 2.380 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.070 | 0.446 |
Number of reflections | 55433 | |
<I/σ(I)> | 31 | 4.7 |
Completeness [%] | 99.9 | 99.7 |
Redundancy | 10.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5 | 298 | ammonium sulfate, sodium phosphate, sodium citrate, pH 5.0, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
Crystallization Reagents
ID | crystal ID | solution ID | reagent name | concentration | details |
1 | 1 | 1 | ammonium sulfate | ||
2 | 1 | 1 | sodium phosphate | ||
3 | 1 | 1 | sodium citrate | ||
4 | 1 | 1 | H2O | ||
5 | 1 | 2 | ammonium sulfate | ||
6 | 1 | 2 | sodium phosphate | ||
7 | 1 | 2 | sodium citrate |