8RNW

Hen Egg White Lysozyme soaked with trans-Ru(DMSO)4Cl2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-01-24
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9184
Spacegroup name	P 43 21 2
Unit cell lengths	78.207, 78.207, 37.195
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	18.970 - 1.120
R-factor	0.1559
Rwork	0.155
R-free	0.17100
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.834
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.100	1.140
High resolution limit [Å]	1.120	1.120
Rmerge	0.015	0.216
Rmeas	0.021	0.305
Rpim	0.015	0.216
Total number of observations	84592	4070
Number of reflections	44798	2126
<I/σ(I)>	20.4	1.1
Completeness [%]	99.6
Redundancy	1.9	1.9
CC(1/2)	1.000	0.550

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.5	293	0.8 NaCl, 0.05 sodium acetate