6S0W
The crystal structure of kanamycin B dioxygenase (KanJ) from Streptomyces kanamyceticus in complex with nickel and kanamycin B sulfate
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-BM |
| Synchrotron site | APS |
| Beamline | 19-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2017-06-17 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 0.97915 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 50.444, 186.061, 110.168 |
| Unit cell angles | 90.00, 95.20, 90.00 |
Refinement procedure
| Resolution | 44.220 - 2.360 |
| R-factor | 0.18735 |
| Rwork | 0.185 |
| R-free | 0.22465 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 6s0t |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.387 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.220 | 2.390 |
| High resolution limit [Å] | 2.350 | 2.350 |
| Rmerge | 0.078 | 0.821 |
| Number of reflections | 75259 | 3923 |
| <I/σ(I)> | 11.3 | |
| Completeness [%] | 95.1 | |
| Redundancy | 6.5 | |
| CC(1/2) | 0.734 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 289 | 1:1 of 28% PEG4000 (w/v), 0.5 M lithium sulfate, 0.1 M HEPES, 0.1 M sodium acetate and 15mg/ml protein in 0.05 M bis-tris methane, 0.15 M NaCl; soaked with 0.05 M kanamycin B |
