9ORY

X-ray diffraction structure of lysozyme soaked with N,N',N"-triacetylchitotriose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E+
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2025-05-20
Detector	RIGAKU
Wavelength(s)	1.5418
Spacegroup name	P 43 21 2
Unit cell lengths	76.740, 76.740, 37.750
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	54.260 - 1.400
R-factor	0.1907
Rwork	0.189
R-free	0.21540
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.828
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	54.260	1.430
High resolution limit [Å]	1.400	1.400
Rmerge	0.049	0.287
Number of reflections	42405	2810
<I/σ(I)>	27.2	1.92
Completeness [%]	99.1	89.7
Redundancy	8.97	2.7
CC(1/2)	1.000	0.873

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	800 mM NaCl, 80 mM sodium acetate pH 4.8