1XF4
Structure of ligand-free Fab DNA-1 in space group P321 solved from crystals with perfect hemihedral twinning
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X8C |
| Synchrotron site | NSLS |
| Beamline | X8C |
| Temperature [K] | 173 |
| Detector technology | CCD |
| Collection date | 2001-04-23 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.072 |
| Spacegroup name | P 3 2 1 |
| Unit cell lengths | 179.179, 179.179, 91.985 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 49.500 - 2.500 |
| R-factor | 0.18696 |
| Rwork | 0.183 |
| R-free | 0.22398 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1i8m |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.511 |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.1.24) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.500 | 2.590 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.090 | 0.511 |
| Number of reflections | 54454 | |
| <I/σ(I)> | 13 | 2.9 |
| Completeness [%] | 87.0 | 81 |
| Redundancy | 5.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.9 | 298 | ammonium sulfate, sodium acetate, pH 4.9, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
