9N4I

YehD receptor binding domain Y150A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 4.2.2
Synchrotron site	ALS
Beamline	4.2.2
Temperature [K]	100
Detector technology	CMOS
Collection date	2021-11-06
Detector	NOIR-1
Wavelength(s)	1.072157
Spacegroup name	P 1 21 1
Unit cell lengths	78.351, 31.613, 87.873
Unit cell angles	90.00, 93.17, 90.00

Refinement procedure

Resolution	39.200 - 1.680
R-factor	0.2257
Rwork	0.224
R-free	0.25720
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.113
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.200	1.740
High resolution limit [Å]	1.680	1.680
Rmerge	0.110	1.426
Rmeas	0.130	1.682
Number of reflections	46949	16626
<I/σ(I)>	8.85	0.96
Completeness [%]	92.9
Redundancy	3.5
CC(1/2)	0.995	0.414

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		292	0.1 M NaAcetate, 0.1 M Tris 8.8, and ~20% PEG 4000