8RNV

Hen Egg White Lysozyme soaked with cis-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	78.542, 78.542, 37.106
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	18.060 - 1.080
R-factor	0.1547
Rwork	0.154
R-free	0.16720
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.823
Data reduction software	XDS
Data scaling software	XDS
Phasing software	MOLREP
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.270	1.100
High resolution limit [Å]	1.080	1.080
Rmerge	0.016	0.154
Rmeas	0.022	0.218
Rpim	0.016	0.154
Total number of observations	91265	3566
Number of reflections	48247	1861
<I/σ(I)>	19	1.1
Completeness [%]	96.2
Redundancy	1.9	1.9
CC(1/2)	1.000	0.569

Crystallization Conditions

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