4W96

Crystal structure of cross-linked tetragonal hen egg white lysozyme soaked with 5mM [Ru(CO)3Cl2]2 followed by the reaction in deoxy-myoglobin solution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL38B1
Synchrotron site	SPring-8
Beamline	BL38B1
Temperature [K]	100
Detector technology	CCD
Collection date	2012-12-20
Detector	ADSC QUANTUM 315
Wavelength(s)	1.0000
Spacegroup name	P 43 21 2
Unit cell lengths	79.011, 79.011, 36.994
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.840 - 1.500
R-factor	0.1961
Rwork	0.195
R-free	0.22660
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.025
RMSD bond angle	2.154
Data reduction software	SCALEPACK
Data scaling software	MOLREP
Phasing software	MOLREP
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.000	1.540
High resolution limit [Å]	1.500	1.500
Number of reflections	17128
<I/σ(I)>	58.8
Completeness [%]	93.5	99.14
Redundancy	11.9

Crystallization Conditions

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