5LVH

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SEALED TUBE
Source details	OXFORD DIFFRACTION ENHANCE ULTRA
Temperature [K]	120
Detector technology	CCD
Collection date	2015-04-27
Detector	AGILENT ATLAS CCD
Wavelength(s)	1.5418
Spacegroup name	P 43 21 2
Unit cell lengths	77.683, 77.683, 37.195
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	15.230 - 1.550
R-factor	0.1728
Rwork	0.171
R-free	0.21050
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1h87
RMSD bond length	0.019
RMSD bond angle	1.969
Data reduction software	CrysalisPro
Data scaling software	Aimless (0.3.11)
Phasing software	PHASER (2.5.6)
Refinement software	REFMAC (5.8.0073)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	15.230	15.230	1.520
High resolution limit [Å]	1.500	8.200	1.500
Rmerge	0.063	0.024	0.993
Rmeas	0.069
Rpim	0.027
Total number of observations	112340
Number of reflections	18815
<I/σ(I)>	16
Completeness [%]	99.6	84.7	96
Redundancy	6	4.1	4.1
CC(1/2)	0.999	0.999	0.567

Crystallization Conditions

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