6S0T
The crystal structure of kanamycin B dioxygenase (KanJ) from Streptomyces kanamyceticus in complex with nickel, sulfate, soaked with iodide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-G |
| Synchrotron site | APS |
| Beamline | 21-ID-G |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2017-03-09 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.97856 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 50.614, 186.468, 110.828 |
| Unit cell angles | 90.00, 95.74, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.100 |
| R-factor | 0.17091 |
| Rwork | 0.169 |
| R-free | 0.20424 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6s0r |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.515 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | HKL-3000 |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.140 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.063 | 0.666 |
| Number of reflections | 118025 | 5861 |
| <I/σ(I)> | 9.6 | 2.1 |
| Completeness [%] | 96.4 | 100 |
| Redundancy | 3.8 | 3.8 |
| CC(1/2) | 0.754 | 0.829 |
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 0.1 M potassium iodide |
