8Z0G

Crystal structure of NeIle complexed with isoleucine

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SEALED TUBE
Source details	RIGAKU MICROMAX-003
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-02-27
Detector	RIGAKU HyPix-Arc 100
Wavelength(s)	1.5416
Spacegroup name	P 1 21 1
Unit cell lengths	63.128, 68.153, 79.479
Unit cell angles	90.00, 112.46, 90.00

Refinement procedure

Resolution	22.160 - 2.650
R-factor	0.2387
Rwork	0.235
R-free	0.30781
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	2.275
Data reduction software	CrysalisPro
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	22.160	2.720
High resolution limit [Å]	2.650	2.650
Number of reflections	18097	1254
<I/σ(I)>	1.5
Completeness [%]	98.3
Redundancy	3.7
CC(1/2)	0.920	0.650

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	PEG 3350, Sodium acetate trihydrate