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