2FR4
Structure of Fab DNA-1 complexed with a stem-loop DNA ligand
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 173 |
| Detector technology | CCD |
| Collection date | 2003-11-15 |
| Wavelength(s) | 0.9786 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 84.757, 90.450, 128.116 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 22.300 - 1.950 |
| R-factor | 0.21 |
| Rwork | 0.207 |
| R-free | 0.25600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1i8m |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.541 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.020 |
| High resolution limit [Å] | 1.950 | 4.200 | 1.950 |
| Rmerge | 0.052 | 0.032 | 0.420 |
| Number of reflections | 70761 | 6697 | 6975 |
| <I/σ(I)> | 11.1 | ||
| Completeness [%] | 97.4 | ||
| Redundancy | 4 | 4.1 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | 0.1 M Tris-HCL, 12-26% (w/v) PEGMME 2000, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | Tris-HCL | ||
| 2 | 1 | 1 | PEGMME 2000 | ||
| 3 | 1 | 1 | H2O | ||
| 4 | 1 | 2 | PEGMME 2000 | ||
| 5 | 1 | 2 | H2O |
