8UK6
Candida albicans glutaminyl tRNA synthetase (GLN4) in complex with N-pyrimidinyl-beta-thiophenylacrylamide
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 | 2022-07-22 |
Detector | DECTRIS EIGER X 9M |
Wavelength(s) | 0.9796 |
Spacegroup name | I 4 2 2 |
Unit cell lengths | 143.090, 143.090, 145.710 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.990 - 2.730 |
R-factor | 0.2068 |
Rwork | 0.203 |
R-free | 0.24100 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.003 |
RMSD bond angle | 0.507 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX ((1.19.1_4122: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.990 | 2.828 |
High resolution limit [Å] | 2.730 | 2.730 |
Rmerge | 0.223 | 2.571 |
Rmeas | 0.227 | 2.620 |
Rpim | 0.044 | 0.502 |
Number of reflections | 20414 | 2006 |
<I/σ(I)> | 18.65 | 2.571 |
Completeness [%] | 99.9 | 100 |
Redundancy | 26.4 | 27 |
CC(1/2) | 0.999 | 0.787 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 0.2 M sodium thiocyanate, 22% PEG 3350 with micro seeding |