3PNQ
Crystal Structure of E.coli Dha kinase DhaK (H56N) complex with Dha
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CLSI BEAMLINE 08ID-1 |
| Synchrotron site | CLSI |
| Beamline | 08ID-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-06-15 |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 82.232, 101.073, 99.349 |
| Unit cell angles | 90.00, 89.95, 90.00 |
Refinement procedure
| Resolution | 49.670 - 2.200 |
| R-factor | 0.2005 |
| Rwork | 0.200 |
| R-free | 0.21960 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.433 |
| 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] | 49.670 | 50.000 | 2.280 |
| High resolution limit [Å] | 2.200 | 4.740 | 2.200 |
| Rmerge | 0.086 | 0.054 | 0.205 |
| Number of reflections | 81917 | ||
| <I/σ(I)> | 8.3 | ||
| Completeness [%] | 99.3 | 99.7 | 98.4 |
| Redundancy | 3.7 | 4 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 295 | 20% PEG 8000, 0.1M sodium citrate pH 5.6, vapor diffusion, sitting drop, temperature 295K |
