4R5G
Crystal structure of the DnaK C-terminus with the inhibitor PET-16
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X25 |
| Synchrotron site | NSLS |
| Beamline | X25 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-02-01 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.100 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 91.778, 91.778, 136.888 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 43.509 - 3.450 |
| R-factor | 0.2862 |
| Rwork | 0.284 |
| R-free | 0.32820 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1dky |
| RMSD bond length | 0.004 |
| RMSD bond angle | 1.081 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.8.2_1309)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.000 | 3.570 |
| High resolution limit [Å] | 3.450 | 3.450 |
| Rmerge | 0.099 | 0.490 |
| Number of reflections | 8281 | |
| <I/σ(I)> | 15 | 2.5 |
| Completeness [%] | 99.7 | 99.9 |
| Redundancy | 5 | 5.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 293 | 1.8M ammonium sulfate, 0.1M Bis-Tris pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 293.0K |
