4EZN
Crystal structure of the substrate binding domain of E.coli DnaK in complex with pyrrhocoricin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.1 |
| Synchrotron site | BESSY |
| Beamline | 14.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-12-02 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.918 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 77.580, 160.272, 44.928 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 24.610 - 1.800 |
| R-factor | 0.19812 |
| Rwork | 0.197 |
| R-free | 0.23762 |
| Structure solution method | PDB ENTRY 3DPO |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.890 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | REFMAC (with PDBID 3DPO) |
| Refinement software | REFMAC (with PDBID 3DPO) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 24.610 | 1.900 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.057 | 0.479 |
| Number of reflections | 50109 | |
| <I/σ(I)> | 2.9 | |
| Completeness [%] | 94.7 | 99.2 |
| Redundancy | 4.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5 | 292 | 2.4 M ammonium sulfate, 0.1 M sodium acetate pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 292K |
