8OMT

X-ray structure of lysozyme obtained upon reaction with [VIVO(empp)2] (Structure C)

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ELETTRA BEAMLINE 11.2C
Synchrotron site	ELETTRA
Beamline	11.2C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-11-11
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.00
Spacegroup name	P 43 21 2
Unit cell lengths	77.130, 77.130, 37.260
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.560 - 1.097
Rwork	0.117
R-free	0.14440
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.024
RMSD bond angle	3.029
Data reduction software	autoPROC
Data scaling software	autoPROC
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.560	1.100
High resolution limit [Å]	1.080	1.080
Rmerge	0.042	0.404
Rmeas	0.044	0.469
Number of reflections	40727	820
<I/σ(I)>	36.5	2.7
Completeness [%]	83.9	34
Redundancy	17.2
CC(1/2)	1.000	0.829

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	2.0 M sodium formate 0.1 M Hepes buffer pH 7.5