4OOT

X-ray structure of the protein-gold adduct formed upon reaction of Aubipic with hen egg white lysozyme

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	CCD
Detector	RIGAKU SATURN 944+
Wavelength(s)	1.5418
Spacegroup name	P 43 21 2
Unit cell lengths	76.979, 76.979, 38.089
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.550 - 1.800
R-factor	0.18383
Rwork	0.181
R-free	0.24378
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	PDB code 4J1A
RMSD bond length	0.017
RMSD bond angle	1.671
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	CNS
Refinement software	REFMAC (5.7.0032)

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	1.800
Rmerge	0.048
Number of reflections	10554
Completeness [%]	94.7
Redundancy	3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.4	298	crystal of lysozyme have been obtained in the presence of Aubipyc (1:10 protein to metal ratio) via the hanging drop vapor diffusion method. These crystals have been grown using a reservoir solution of 0.6 M NaNO3, 0.1 M sodium acetate pH 4.4 and 20 % ethylene glycol, VAPOR DIFFUSION, HANGING DROP, temperature 298K