7REU
Crystal structure of Aro4p, 3-deoxy-D-arabino-heptulosonate-7-phosphate (DAHP) synthase from Candida auris, L-Tyr complex
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-06-12 |
Detector | DECTRIS PILATUS3 X 6M |
Wavelength(s) | 0.97918 |
Spacegroup name | I 4 2 2 |
Unit cell lengths | 121.355, 121.355, 205.585 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 42.910 - 2.790 |
R-factor | 0.1865 |
Rwork | 0.181 |
R-free | 0.23910 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ofr |
RMSD bond length | 0.003 |
RMSD bond angle | 0.557 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.850 |
High resolution limit [Å] | 2.790 | 2.800 |
Rmerge | 0.098 | 0.726 |
Rpim | 0.034 | 0.259 |
Number of reflections | 19301 | 1057 |
<I/σ(I)> | 25.6 | 2.72 |
Completeness [%] | 99.6 | 100 |
Redundancy | 8.6 | |
CC(1/2) | 0.830 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.6 | 298 | 1.8 M tri-ammonum citrate, 0.1 M Tris pH 8.6, 0.5 mM TCEP cryoprotectant Paratone |