9PL3

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

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	75.407, 58.256, 121.230
Unit cell angles	90.00, 107.95, 90.00

Refinement procedure

Resolution	29.130 - 1.950
R-factor	0.17424
Rwork	0.173
R-free	0.20348
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	1.463
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	1.980
High resolution limit [Å]	1.950	1.950
Rmerge	0.200	0.860
Rpim	0.089	0.384
Number of reflections	72403	3579
<I/σ(I)>	8.8	2.1
Completeness [%]	99.8	99.5
Redundancy	5.8	5.6
CC(1/2)	0.984	0.428

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.2	292	Protein: 12.9 mg/ml, 10mM HEPES (pH 7.2), 1mM TCEP, 2% Glycerol, 5mM Imidazole; Screen: PEGs II (F8), 0.1M Sodium acetate, 25% (w/v) PEG 4000, 8% (w/v) Isopropanol; Cryo: Reservoir.