9NYU

Crystal structure of KwaB dimer

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-2
Synchrotron site	NSLS-II
Beamline	17-ID-2
Temperature [K]	289
Detector technology	PIXEL
Collection date	2024-05-31
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9201
Spacegroup name	P 31 2 1
Unit cell lengths	163.974, 163.974, 61.124
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	30.990 - 3.600
R-factor	0.2811
Rwork	0.276
R-free	0.32420
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.743
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.990	3.790
High resolution limit [Å]	3.600	3.600
Rpim	0.082	0.936
Number of reflections	11145	1115
<I/σ(I)>	5.8	0.8
Completeness [%]	100.0
Redundancy	13.3
CC(1/2)	0.997	0.403

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIQUID DIFFUSION		289	0.1 M Sodium citrate tribasic dihydrate pH 5.0; 30% v/v Jeffamine ED-2001 pH 7.0