3QNJ
Crystal structure of the substrate binding domain of E.coli DnaK in complex with the antimicrobial peptide oncocin
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.3 |
Synchrotron site | BESSY |
Beamline | 14.3 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-06-23 |
Detector | MAR CCD 165 mm |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 77.664, 161.137, 44.629 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 25.000 - 2.280 |
R-factor | 0.213 |
Rwork | 0.211 |
R-free | 0.28400 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.020 |
RMSD bond angle | 1.855 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 25.000 |
High resolution limit [Å] | 2.250 |
Rmerge | 0.071 |
Number of reflections | 25775 |
<I/σ(I)> | 17.7 |
Completeness [%] | 97.7 |
Redundancy | 4.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 4 | 292 | 2.4 M ammonium sulfate, 0.1 M citric acid, VAPOR DIFFUSION, HANGING DROP, temperature 292K |