9J7S

Crystal structure of 3-deoxy-D-arabino-heptulosonate-7-phosphate synthase (DAHP synthase) from Providencia alcalifaciens complexed with Phe

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-09-15
Detector	RIGAKU HyPix-6000HE
Wavelength(s)	1.54184
Spacegroup name	P 1 21 1
Unit cell lengths	124.234, 51.468, 132.657
Unit cell angles	90.00, 113.75, 90.00

Refinement procedure

Resolution	25.170 - 2.500
R-factor	0.23583
Rwork	0.234
R-free	0.26550
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1kfl
Data reduction software	CrysalisPro
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0425)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.170	2.580
High resolution limit [Å]	2.500	2.500
Number of reflections	53799	5370
<I/σ(I)>	6.8	1.6
Completeness [%]	99.8
Redundancy	7.7
CC(1/2)	0.978	0.736

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	16% PEG3350, 0.1 M Sodium citrate tribasic dihydrate pH 5.6, and 2% v/v Tacsimate pH 5.0