8H58

Crystal structure of YhaJ effector binding domain

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 315
Wavelength(s)	0.97933
Spacegroup name	H 3
Unit cell lengths	215.193, 215.193, 263.409
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	36.905 - 2.639
Rwork	0.177
R-free	0.23580
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	AF_AFP67660F1
RMSD bond length	0.010
RMSD bond angle	1.647
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]	36.910	2.740
High resolution limit [Å]	2.639	2.639
Rmerge	0.088	0.386
Number of reflections	131090	12621
<I/σ(I)>	10.9	2.6
Completeness [%]	98.2	94.5
Redundancy	4.1	2.8
CC(1/2)	0.995	0.352

Crystallization Conditions

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