7CL5
The crystal structure of KanJ in complex with kanamycin B and N-oxalylglycine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE AR-NW12A |
Synchrotron site | Photon Factory |
Beamline | AR-NW12A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2019-05-26 |
Detector | ADSC QUANTUM 270 |
Wavelength(s) | 1 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 50.083, 184.259, 109.771 |
Unit cell angles | 90.00, 97.68, 90.00 |
Refinement procedure
Resolution | 49.680 - 2.500 |
R-factor | 0.1975 |
Rwork | 0.197 |
R-free | 0.21430 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7cl2 |
RMSD bond length | 0.007 |
RMSD bond angle | 1.386 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.560 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.060 | 0.597 |
Rmeas | 0.083 | 0.823 |
Rpim | 0.057 | 0.564 |
Number of reflections | 67780 | 4519 |
<I/σ(I)> | 13.2 | 1.9 |
Completeness [%] | 99.8 | 100 |
Redundancy | 3.5 | 3.3 |
CC(1/2) | 0.997 | 0.629 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | PEG 4000, Lithium sulfate, Tris |