6SEU

X-ray structure of the gold/lysozyme adduct formed upon 21h 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	76.953, 76.953, 38.889
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.730 - 1.950
R-factor	0.1958
Rwork	0.192
R-free	0.26030
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	193l
RMSD bond length	0.008
RMSD bond angle	1.525
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]	34.730	1.980
High resolution limit [Å]	1.950	1.950
Rmerge	0.141	0.546
Rpim	0.060	0.361
Number of reflections	8955	423
<I/σ(I)>	13.8	1.5
Completeness [%]	99.8	99.8
Redundancy	13.8	3.1
CC(1/2)	0.805	0.951

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