9PL4

Crystal Structure of the Peptide-binding Protein NikA from Streptococcus agalactiae in Complex with Zinc, L-Histidine and Tris buffer.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-1
Synchrotron site	NSLS-II
Beamline	17-ID-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-10-15
Detector	DECTRIS EIGER2 X 9M
Wavelength(s)	0.92020
Spacegroup name	P 1 21 1
Unit cell lengths	75.495, 58.191, 119.271
Unit cell angles	90.00, 106.39, 90.00

Refinement procedure

Resolution	29.610 - 1.800
R-factor	0.19647
Rwork	0.194
R-free	0.23817
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	1.521
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0425)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.830
High resolution limit [Å]	1.800	1.800
Rmerge	0.182	0.772
Rpim	0.076	0.324
Number of reflections	91954	4542
<I/σ(I)>	10	2.3
Completeness [%]	100.0	100
Redundancy	6.6	6.6
CC(1/2)	0.991	0.366

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	292	Protein: 12.9 mg/ml, 10mM HEPES (pH 7.2) , 1mM TCEP, 2% Glycerol, 5mM Imidazole; Screen: Classics II (D9), 0.1M Tris (pH 8.5), 25% (w/v) PEG 3350; Cryo: Reservoir.