6CHD
Crystal Structure of Human Lysyl-tRNA Synthetase complexed with L-Lysylsulfamoyl Adenosine
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 | PIXEL |
Collection date | 2018-01-19 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.979490 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 149.870, 149.870, 105.230 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 49.056 - 2.500 |
R-factor | 0.1592 |
Rwork | 0.157 |
R-free | 0.20560 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3bju |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX ((1.13_2998)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 49.056 | 49.056 | 2.560 |
High resolution limit [Å] | 2.500 | 11.180 | 2.500 |
Rmerge | 0.087 | 0.035 | 0.585 |
Rmeas | 0.093 | 0.038 | 0.621 |
Total number of observations | 411370 | ||
Number of reflections | 47408 | 591 | 3471 |
<I/σ(I)> | 16.45 | 43.48 | 3.22 |
Completeness [%] | 100.0 | 98.7 | 100 |
Redundancy | 8.677 | 7.731 | 8.91 |
CC(1/2) | 0.999 | 0.998 | 0.937 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 290 | Human KRS at 35.6 mg/ml, incubated with 5 mM L-Lysylsulfamoyl Adenosine, then mixed 1:1 with Top96(c3): 25% (w/v) PEG-3350, 0.2 M lithium sulfate, 0.1 M bis-Tris:HCl, pH = 5.5: cryoprotected with 20% ethylene glycol. Tray: 297612c3, puck: KYY0-11 |