9CR6

Crystal structure of histidine racemase (HisR) of Fusobacterium nucleatum (C209S)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-1
Synchrotron site	SSRL
Beamline	BL12-1
Temperature [K]	93.15
Detector technology	PIXEL
Collection date	2024-04-25
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.979
Spacegroup name	P 1 21 1
Unit cell lengths	72.845, 89.119, 100.331
Unit cell angles	90.00, 100.91, 90.00

Refinement procedure

Resolution	35.860 - 2.490
R-factor	0.2636
Rwork	0.261
R-free	0.31320
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.526
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	35.860	35.760	2.650
High resolution limit [Å]	2.490	7.390	2.500
Rmerge	0.049	0.034	0.316
Rmeas	0.069	0.048	0.448
Number of reflections	43369	953	5042
<I/σ(I)>	5.28
Completeness [%]	97.9
Redundancy	6.8
CC(1/2)	0.994	0.992	0.892

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.5	291	0.1M Phosphate/citrate pH 4.2, 40% v/v Ethanol, 5% w/v PEG 1000