9LC2

Crystal Structure of NFIA in Complex with DNA Containing the TGGCA(N3)TGCCA Motif

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	80
Detector technology	PIXEL
Collection date	2024-12-15
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9795
Spacegroup name	P 1 21 1
Unit cell lengths	49.075, 78.141, 88.123
Unit cell angles	90.00, 91.99, 90.00

Refinement procedure

Resolution	39.070 - 2.700
R-factor	0.2078
Rwork	0.205
R-free	0.25940
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	9jh4
RMSD bond length	0.007
RMSD bond angle	0.892
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.850
High resolution limit [Å]	2.700	2.700
Rpim	0.132	0.490
Number of reflections	18273	2634
<I/σ(I)>	12.4
Completeness [%]	99.0	98.4
Redundancy	6.6	6.89
CC(1/2)	0.928	0.571

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1 M Tris (pH 7.0), 20% (w/v) PEG 2000