7P4Q

Structure of the quinolinate synthase S124A variant complexed with citrate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 2
Synchrotron site	SOLEIL
Beamline	PROXIMA 2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-03-14
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9999
Spacegroup name	P 1 21 1
Unit cell lengths	55.740, 49.330, 62.240
Unit cell angles	90.00, 108.14, 90.00

Refinement procedure

Resolution	59.150 - 2.200
R-factor	0.1815
Rwork	0.179
R-free	0.22300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6i0p
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]	59.150	2.280
High resolution limit [Å]	2.200	2.200
Rmerge	0.083	0.351
Number of reflections	16403	1585
<I/σ(I)>	14.2
Completeness [%]	99.2
Redundancy	5
CC(1/2)	0.995	0.897

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	PEG4000, ammonium acetate, NaCl, trisodium citrate, pH 5.6