9CR1

Crystal structure of histidine racemase (HisR) of Fusobacterium nucleatum (C67S)

This is a non-PDB format compatible entry.

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	C 1 2 1
Unit cell lengths	72.144, 149.607, 138.232
Unit cell angles	90.00, 89.98, 90.00

Refinement procedure

Resolution	37.580 - 2.500
R-factor	0.2557
Rwork	0.254
R-free	0.29670
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.612
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]	37.580	37.580	2.650
High resolution limit [Å]	2.500	7.390	2.500
Rmerge	0.049	0.034	0.316
Rmeas	0.069	0.048	0.448
Number of reflections	49178	953	5042
<I/σ(I)>	5.28
Completeness [%]	97.3
Redundancy	7.1
CC(1/2)	0.994	0.992	0.892

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.4	291	0.1 M HEPES sodium pH 7.5, 2% v/v Polyethylene glycol 400, 2.0 M Ammonium sulfate