30DA

Hen egg white lysozyme complexed with ACT and CL (hanging drop crystallization)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2025-10-09
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.95373
Spacegroup name	P 43 21 2
Unit cell lengths	78.545, 78.545, 37.367
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	55.540 - 1.070
R-factor	0.1508
Rwork	0.150
R-free	0.17260
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.079
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.21.2_5419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	80.000	1.140
High resolution limit [Å]	1.070	1.070
Rmerge	0.086
Rmeas	0.088
Number of reflections	51002	7741
<I/σ(I)>	19.25	0.88
Completeness [%]	99.1	94.3
Redundancy	22.01
CC(1/2)	0.999	0.427

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	1 M sodium chloride, 50 mM sodium acetate pH 4.5 at 293 K