7R1Q

X-ray structure of the adduct formed upon reaction of the gold(I) N-heterocyclic carbene complex Au2 with lysozyme

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	2021-07-27
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.96
Spacegroup name	P 43 21 2
Unit cell lengths	77.000, 77.000, 37.270
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.430 - 1.100
Rwork	0.132
R-free	0.17000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	193l
RMSD bond length	0.037
RMSD bond angle	2.708
Data reduction software	autoPROC
Data scaling software	autoPROC
Phasing software	PHASER
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	34.430	1.110
High resolution limit [Å]	1.100	1.100
Rmerge	0.059	0.551
Rmeas	0.062	0.637
Rpim	0.013	0.318
Number of reflections	44982	1372
<I/σ(I)>	28.4	2.4
Completeness [%]	95.6	58.8
Redundancy	17.9	3.7
CC(1/2)	0.999	0.635

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