5OB7

X-ray structure of the adduct formed upon reaction of lysozyme with the compound fac-[RuII(CO)3Cl2(N3-IM), IM=imidazole (crystal 2)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	CCD
Collection date	2014-04-07
Detector	RIGAKU SATURN 944
Wavelength(s)	1.5418
Spacegroup name	P 43 21 2
Unit cell lengths	78.968, 78.968, 36.604
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	55.840 - 2.100
R-factor	0.15738
Rwork	0.153
R-free	0.23440
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	193l
RMSD bond length	0.016
RMSD bond angle	1.649
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]	55.840	2.140
High resolution limit [Å]	2.100	2.100
Rmerge	0.057	0.296
Number of reflections	6694
<I/σ(I)>	11.4	4.2
Completeness [%]	93.3	93.3
Redundancy	3.1	2.8

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