6KCT
Crystal structure of plasmodium lysyl-tRNA synthetase in complex with a cladosporin derivative 5
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL19U1 |
Synchrotron site | SSRF |
Beamline | BL19U1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2019-03-24 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.987 |
Spacegroup name | P 1 |
Unit cell lengths | 71.112, 89.703, 100.049 |
Unit cell angles | 76.76, 72.80, 80.03 |
Refinement procedure
Resolution | 48.946 - 3.250 |
R-factor | 0.2931 |
Rwork | 0.292 |
R-free | 0.31160 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4ycv |
Data reduction software | HKL-3000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | PHENIX (1.13_2998) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 3.370 |
High resolution limit [Å] | 3.250 | 7.000 | 3.250 |
Rmerge | 0.249 | 0.109 | 0.718 |
Rmeas | 0.297 | 0.127 | 0.844 |
Rpim | 0.159 | 0.066 | 0.440 |
Total number of observations | 121802 | ||
Number of reflections | 33930 | 3276 | 3446 |
<I/σ(I)> | 2.6 | ||
Completeness [%] | 94.7 | 91.6 | 95.9 |
Redundancy | 3.6 | 3.6 | 3.5 |
CC(1/2) | 0.976 | 0.821 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 291 | tri-sodium citrate, PEG 3350 |