4ZFP

A new crystal structure for the adduct formed in the reaction between AuSac2, a cytotoxic homoleptic gold(I) compound with the saccharinate ligand, and the model protein 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
Collection date	2014-02-06
Detector	RIGAKU SATURN 944+
Wavelength(s)	1.5418
Spacegroup name	P 43 21 2
Unit cell lengths	77.584, 77.584, 37.111
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	54.860 - 1.960
R-factor	0.17282
Rwork	0.170
R-free	0.23501
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4j1a
RMSD bond length	0.014
RMSD bond angle	1.684
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	REFMAC
Refinement software	REFMAC (5.8.0049)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	54.860	1.990
High resolution limit [Å]	1.960	1.960
Rmerge	0.068	0.647
Number of reflections	8416
<I/σ(I)>	23.7
Completeness [%]	97.9	92.1
Redundancy	4.2	2.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.4	298	Best crystals grow within 2 days from the following conditions: 0.6 M NaNO3, 0.1 M sodium acetate pH 4.4 and 20 % ethylene glycol.