9Z0B

Crystal Structure of the Polycaprolactam (Nylon6) and Poly(Hexamethylene Adipamide) (Nylon66) Hydrolase Nyl12 at Cryo Temperature

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-1
Synchrotron site	SSRL
Beamline	BL12-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2025-07-22
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.979460
Spacegroup name	P 21 21 21
Unit cell lengths	119.623, 135.407, 142.882
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	98.280 - 1.750
R-factor	0.16293
Rwork	0.161
R-free	0.19653
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.016
RMSD bond angle	2.225
Data reduction software	autoPROC
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0430)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	98.280	1.780
High resolution limit [Å]	1.750	1.750
Rmerge	0.134	1.177
Rmeas	0.145	1.280
Rpim	0.055	0.497
Total number of observations		71568
Number of reflections	217968	11205
<I/σ(I)>	8.2	1.5
Completeness [%]	93.7
Redundancy	6.8	6.4
CC(1/2)	0.992	0.646

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIQUID DIFFUSION	7.4	291	0.09 M HEPES, pH 6.8, 27% w/v PEG3350, 5% v/v cholin acetate (HR Ionic Liquid 5), protein:ML ratio of 2:1