9GCV

Identification of chloride ions in lysozyme at long wavelengths

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I23
Synchrotron site	Diamond
Beamline	I23
Temperature [K]	80
Detector technology	PIXEL
Collection date	2024-07-31
Detector	DECTRIS PILATUS 12M
Wavelength(s)	4.1328
Spacegroup name	P 43 21 2
Unit cell lengths	79.031, 79.031, 36.897
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	55.884 - 2.703
Rwork	0.188
R-free	0.21710
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.760
Data reduction software	DIALS
Data scaling software	DIALS
Phasing software	PHASER
Refinement software	REFMAC (5.8.0430 (refmacat 0.4.77))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	79.000	3.430	2.750
High resolution limit [Å]	2.700	3.370	2.700
Rmeas	0.070	0.072	0.120
Number of reflections	2680	53	102
<I/σ(I)>	62	36.1	18.9
Completeness [%]	76.8		60.4
Redundancy	17.7
CC(1/2)	0.990	0.990	0.990

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.6	294	100 mM sodium acetate pH 4.6, 1 M NaCl and 25% ethylene glycol
1	VAPOR DIFFUSION, SITTING DROP	4.6	294	100 mM sodium acetate pH 4.6, 1 M NaCl and 25% ethylene glycol
1	VAPOR DIFFUSION, SITTING DROP	4.6	294	100 mM sodium acetate pH 4.6, 1 M NaCl and 25% ethylene glycol