5LVI

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SEALED TUBE
Source details	OXFORD DIFFRACTION ENHANCE ULTRA
Temperature [K]	120
Detector technology	CCD
Collection date	2015-05-06
Detector	AGILENT ATLAS CCD
Wavelength(s)	1.5418
Spacegroup name	P 43 21 2
Unit cell lengths	77.482, 77.482, 37.159
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	14.800 - 1.700
R-factor	0.1653
Rwork	0.163
R-free	0.21730
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.019
RMSD bond angle	1.812
Data reduction software	CrysalisPro
Data scaling software	Aimless (0.2.8)
Phasing software	PHASER (2.5.5)
Refinement software	REFMAC (5.8.0073)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	15.080	15.080	1.520
High resolution limit [Å]	1.490	8.050	1.490
Rmerge	0.158	0.030	0.410
Rmeas	0.175
Rpim	0.071
Total number of observations	112526
Number of reflections	18827
<I/σ(I)>	10
Completeness [%]	99.6	84.3	94.9
Redundancy	6	6.6	4.1
CC(1/2)	0.994	0.999	0.142

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.5	298	0.8 M NaCl, 50 mM sodium acetate