7YNU

Crystal structure of Hen Egg white LYSOZYME introduced with O-(2-nitrobenzyl)-L-tyrosine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL32XU
Synchrotron site	SPring-8
Beamline	BL32XU
Temperature [K]	93
Detector technology	PIXEL
Collection date	2020-12-11
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1
Spacegroup name	P 43 21 2
Unit cell lengths	79.680, 79.680, 37.050
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.840 - 1.440
R-factor	0.1934
Rwork	0.191
R-free	0.22260
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ym8
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	39.840	39.840	1.530
High resolution limit [Å]	1.440	4.320	1.440
Rmerge	0.223	0.142	0.872
Rmeas	0.232	0.148	0.901
Total number of observations	350557
Number of reflections	22119	945	3595
<I/σ(I)>	5.62	12.96	1.06
Completeness [%]	99.6	99.4	99.9
Redundancy	15.849	15.402	15.564
CC(1/2)	0.965	0.980	0.741

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	3.6	293	28% NaCl, 8% PEG6000, 100 mM Na-acetate (pH3.6)