6KAB
Crystal structure of plasmodium lysyl-tRNA synthetase in complex with a cladosporin derivative 2
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 | 71.045, 90.008, 100.619 |
Unit cell angles | 76.43, 72.92, 79.76 |
Refinement procedure
Resolution | 46.173 - 2.892 |
R-factor | 0.2265 |
Rwork | 0.224 |
R-free | 0.27340 |
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 | 3.000 |
High resolution limit [Å] | 2.900 | 6.240 | 2.900 |
Rmerge | 0.131 | 0.065 | 0.430 |
Rmeas | 0.153 | 0.076 | 0.503 |
Rpim | 0.079 | 0.039 | 0.258 |
Total number of observations | 176448 | ||
Number of reflections | 48151 | 4763 | 4830 |
<I/σ(I)> | 3.1 | ||
Completeness [%] | 94.3 | 93.1 | 95.1 |
Redundancy | 3.7 | 3.7 | 3.6 |
CC(1/2) | 0.994 | 0.862 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 291 | tri-sodium citrate, PEG 3350 |