8H5A

Crystal structure of YhaJ effector binding domain (ligand-bound)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 7A (6B, 6C1)
Synchrotron site	PAL/PLS
Beamline	7A (6B, 6C1)
Temperature [K]	100
Detector technology	CCD
Collection date	2022-03-24
Detector	ADSC QUANTUM 210
Wavelength(s)	0.97933
Spacegroup name	H 3
Unit cell lengths	215.745, 215.745, 264.158
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	34.998 - 2.803
Rwork	0.184
R-free	0.23200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	AF_AFP67660F1
RMSD bond length	0.010
RMSD bond angle	1.698
Data reduction software	HKL-2000 (v715)
Data scaling software	HKL-2000 (v715)
Phasing software	PHASER (2.8.3)
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.010	2.900
High resolution limit [Å]	2.800	2.800
Rmerge	0.082	0.391
Number of reflections	107524	10131
<I/σ(I)>	10.1	2.2
Completeness [%]	95.5	89.9
Redundancy	3.6	2.4
CC(1/2)	0.996	0.178

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	291	2.8M sodium acetate trihydrate pH 7.0