5OB6

X-ray structure of the adduct formed upon reaction of lysozyme with the compound fac-[RuII(CO)3Cl2(N3-IM), IM=imidazole

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	CCD
Collection date	2014-06-26
Detector	RIGAKU SATURN 944
Wavelength(s)	1.5418
Spacegroup name	P 43 21 2
Unit cell lengths	79.776, 79.776, 36.637
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	56.410 - 1.880
R-factor	0.17857
Rwork	0.175
R-free	0.24189
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	193l
RMSD bond length	0.021
RMSD bond angle	1.932
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	56.410	1.920
High resolution limit [Å]	1.880	1.880
Rmerge	0.091	0.597
Number of reflections	9931
<I/σ(I)>	13.3	2.7
Completeness [%]	98.2	100
Redundancy	5.1	3.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	1.1 M NaCl, 0.1 M sodium acetate at pH 4.0-4.4. Adduct was prepared by mixing the protein with the metallodrug in a 1:10 molar ratio for 24 h at room temperature before crystallization trials.