8KEL

Structure of DexA reveal the novel Mechanism of DNA catalysis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL02U1
Synchrotron site	SSRF
Beamline	BL02U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-07-30
Detector	DECTRIS EIGER2 S 9M
Wavelength(s)	0.9791
Spacegroup name	P 1 21 1
Unit cell lengths	84.548, 76.285, 108.009
Unit cell angles	90.00, 93.36, 90.00

Refinement procedure

Resolution	35.940 - 2.880
R-factor	0.225
Rwork	0.223
R-free	0.27620
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.082
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.940	2.980
High resolution limit [Å]	2.880	2.880
Number of reflections	30240	3066
<I/σ(I)>	8.25
Completeness [%]	96.0
Redundancy	4
CC(1/2)	0.990	0.704

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		289	0.02M Calcium chloride dihydrate, 0.1M Sodium acetate trihydrate pH 4.6, 30% v/v (+/-)-2-Methyl-2,4-pentanediol