8RNX

Hen Egg White Lysozyme soaked with [HIsq][trans-RuCl4(DMSO)(Isq)]

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	78.993, 78.993, 37.002
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.160 - 1.250
R-factor	0.2228
Rwork	0.222
R-free	0.24800
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.873
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]	39.500	1.270
High resolution limit [Å]	1.250	1.250
Rmerge	0.023	0.208
Rmeas	0.033	0.294
Rpim	0.023	0.208
Total number of observations	60778	2289
Number of reflections	32398	1209
<I/σ(I)>	11.4	1.1
Completeness [%]	98.2
Redundancy	1.9	1.9
CC(1/2)	0.999	0.633

Crystallization Conditions

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