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 |