6SEW

X-ray structure of the gold/lysozyme adduct formed upon 24h exposure of protein crystals to compound 2

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	78.328, 78.328, 37.691
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.990 - 2.120
R-factor	0.2149
Rwork	0.211
R-free	0.29450
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	193l
RMSD bond length	0.007
RMSD bond angle	1.556
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]	55.390	2.160
High resolution limit [Å]	2.120	2.120
Rmerge	0.132	0.645
Rpim	0.060	0.358
Number of reflections	6962	314
<I/σ(I)>	10.4	1.6
Completeness [%]	98.3	90.5
Redundancy	5.3	3.7
CC(1/2)	0.752	0.927

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