8CRH
Crystal structure of Candida auris dihydrofolate reductase complexed with NADPH and cycloguanil
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04 |
Synchrotron site | Diamond |
Beamline | I04 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-12-14 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.00 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 43.776, 63.624, 167.583 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 42.360 - 1.300 |
R-factor | 0.1736 |
Rwork | 0.173 |
R-free | 0.18300 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 1.410 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 42.360 | 1.346 |
High resolution limit [Å] | 1.300 | 1.300 |
Rmerge | 0.048 | 0.409 |
Rmeas | 0.050 | 0.458 |
Rpim | 0.014 | 0.200 |
Number of reflections | 112746 | 9094 |
<I/σ(I)> | 19.59 | 0.8 |
Completeness [%] | 97.0 | 79.51 |
Redundancy | 11.6 | 4.9 |
CC(1/2) | 0.999 | 0.907 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293 | 0.2 M Lithium sulphate, 0.1 M Tris, 27.5% PEG 3350 |