7OL6

Crystal structure of Lysozyme in complex with Imidazole

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-02-24
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.976256
Spacegroup name	P 21 21 21
Unit cell lengths	30.418, 55.238, 66.174
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.540 - 1.100
R-factor	0.1478
Rwork	0.147
R-free	0.15970
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6f1o
Data reduction software	XDS
Data scaling software	Aimless (0.7.4)
Phasing software	PHASER
Refinement software	PHENIX (1.19)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	19.540	19.540	1.120
High resolution limit [Å]	1.100	6.020	1.100
Rmerge	0.027	0.022	0.421
Rmeas	0.031	0.026	0.516
Rpim	0.015	0.012	0.291
Total number of observations		1335	3374
Number of reflections	43545	322	1415
<I/σ(I)>	20.7	56	2.2
Completeness [%]	94.8	95.6	64.3
Redundancy	4.1	4.1	2.4
CC(1/2)	0.999	0.999	0.790

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	298	0.2M NaCl, 0.1M Imidazole, 10mM NaH2PO4 plus 10% TFE in the reservoir