7P4P

Structure of the quinolinate synthase A84L variant complexed with citrate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-07-01
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.7749
Spacegroup name	C 1 2 1
Unit cell lengths	102.760, 49.200, 69.680
Unit cell angles	90.00, 108.08, 90.00

Refinement procedure

Resolution	39.230 - 1.750
R-factor	0.1723
Rwork	0.171
R-free	0.20220
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5lqm
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]	48.840	1.810
High resolution limit [Å]	1.750	1.750
Rmerge	0.066	0.888
Number of reflections	33318	3180
<I/σ(I)>	10.5
Completeness [%]	99.2
Redundancy	4.9
CC(1/2)	0.995	0.643

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	trisodium citrate, Tris-HCL, KCL, pH 6.0