9ORX

X-ray diffraction structure of lysozyme complexed with N,N',N"-triacetylchitotriose from a cocktail-soaked crystal

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E+
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2025-05-11
Detector	RIGAKU
Wavelength(s)	1.5418
Spacegroup name	P 43 21 2
Unit cell lengths	77.530, 77.530, 37.800
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.410 - 1.500
R-factor	0.208
Rwork	0.207
R-free	0.23370
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.988
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]	27.410	1.600
High resolution limit [Å]	1.500	1.500
Rmerge	0.053	1.397
Number of reflections	25260	6213
<I/σ(I)>	25.42
Completeness [%]	99.8	100
Redundancy	13.97	13.8
CC(1/2)	1.000	0.497

Crystallization Conditions

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