6C86
Crystal Structure of Lysyl-tRNA Synthetase from Cryptosporidium parvum 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 | 2018-01-12 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.033200 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 117.030, 142.870, 73.240 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.860 - 2.150 |
R-factor | 0.1563 |
Rwork | 0.155 |
R-free | 0.20390 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5elo |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 46.860 | 46.860 | 2.210 |
High resolution limit [Å] | 2.150 | 9.620 | 2.150 |
Rmerge | 0.093 | 0.037 | 0.570 |
Rmeas | 0.102 | 0.040 | 0.622 |
Total number of observations | 440089 | ||
Number of reflections | 67507 | 866 | 4965 |
<I/σ(I)> | 12.64 | 32.33 | 3.29 |
Completeness [%] | 100.0 | 98.9 | 100 |
Redundancy | 6.519 | 5.9 | 6.305 |
CC(1/2) | 0.998 | 0.999 | 0.863 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.7 | 290 | CrpaA.00612.a.A3.PW37710 @35 mg/ml, protein was incubated with 3 mM L-Lysylsulfamoyl Adenosine, then mixed 1:1 with IndexG5opt(g3): 23.41% (w/v) PEG-3350, 0.2 M lithium sulfate, 0.1 M Tris:HCl/NaOH, pH = 7.7: cryoprotected with 20% ethylene glycol. Puck: yoz9-1, tray: 297540g3 |