7YRK

Crystal structure of the hen egg lysozyme-2-oxidobenzylidene-threoninato-copper (II) complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-17A
Synchrotron site	Photon Factory
Beamline	BL-17A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-03-05
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.98
Spacegroup name	P 43 21 2
Unit cell lengths	78.671, 78.671, 37.203
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.180 - 0.920
R-factor	0.1142
Rwork	0.113
R-free	0.12840
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5lyt
RMSD bond length	0.011
RMSD bond angle	1.152
Data reduction software	XDS
Data scaling software	XDS
Phasing software	REFMAC
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.180	0.940
High resolution limit [Å]	0.920	0.920
Rmerge	0.084	0.568
Number of reflections	78748	2783
<I/σ(I)>	17
Completeness [%]	98.2
Redundancy	11.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277	0.1 M of acetic acid-sodium acetate buffer (pH 4.7) including 2-6 % (m/v) of NaCl