6SEZ

X-ray structure of the gold/lysozyme adduct formed upon 24h exposure of protein crystals to compound 1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	100
Detector technology	CCD
Collection date	2019-01-14
Detector	RIGAKU SATURN 944
Wavelength(s)	1.5418
Spacegroup name	P 43 21 2
Unit cell lengths	77.844, 77.844, 37.459
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.780 - 2.220
R-factor	0.1787
Rwork	0.174
R-free	0.24880
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	193l
RMSD bond length	0.009
RMSD bond angle	1.692
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	33.780	2.260
High resolution limit [Å]	2.220	2.220
Rmerge	0.133	0.639
Rpim	0.064	0.037
Number of reflections	6011	401
<I/σ(I)>	10.1	1.3
Completeness [%]	98.8	99.3
Redundancy	5	3.5
CC(1/2)	0.722	0.916

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.5	293	20% ethylene glycol 0.1 M sodium acetate pH 4.5 0.6 M sodium nitrate